| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 03:13:38 UTC |
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| Update Date | 2016-11-09 01:17:18 UTC |
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| Accession Number | CHEM021194 |
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| Identification |
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| Common Name | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - HMDB Contaminants - Urine
- STOFF IDENT Compounds
- Suspected Compounds
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, perchlorate, (+-)-isomer | MeSH | | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, (+-)-isomer | MeSH | | EDDP-3,3 | MeSH | | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine | MeSH | | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, (e)-isomer | MeSH | | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, perchlorate | MeSH | | 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, (Z)-isomer | MeSH | | 2-Et-1,5-dime-3,3-DPP | MeSH | | EDPP | MeSH | | 1,5-Dimethyl-3,3-diphenyl-2-ethylidenepyrrolidine | MeSH |
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| Chemical Formula | C20H23N |
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| Average Molecular Mass | 277.411 g/mol |
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| Monoisotopic Mass | 277.183 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | (2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine |
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| Traditional Name | (2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine |
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| SMILES | [H]C(C)=C1N(C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4- |
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| InChI Key | AJRJPORIQGYFMT-PVOVUMCXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Diphenylmethanes |
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| Direct Parent | Diphenylmethanes |
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| Alternative Parents | |
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| Substituents | - Diphenylmethane
- 3-phenylpyrrolidine
- Aralkylamine
- N-alkylpyrrolidine
- Pyrrole
- Pyrrolidine
- Tertiary amine
- Tertiary aliphatic amine
- Azacycle
- Enamine
- Organoheterocyclic compound
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organonitrogen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-26c3250c065edaa45662 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-1090000000-e04be42c4a345311565c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aor-6590000000-aa98679f4d203f84f1df | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-a569aef1a04c23b51e01 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-c18d48c0b5a1f816dc80 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0in9-4090000000-8ac958de32ce999ae0ce | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 5378015 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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