65227 <common-name>5-Methoxy-alpha-methyltryptamine</common-name> <description>5-Methoxy-alpha-methyltryptamine is an organic compound with the chemical formula C12H16N2O1 and an average molecular weight of 204.27 g/mol. 5-Methoxy-alpha-methyltryptamine belongs to the tryptamines and derivatives, a subclass of indoles and derivatives within the organic compounds. It is further classified as part of the organoheterocyclic compounds superclass. The compound has been identified in five recorded sources. Within the category of household cleaning and consumer products, it is found in pipe accessories, other smoking requisites, and non electric simulated smoking devices. Additionally, it has been detected in electrical and electronic equipment, specifically in fixed capacitors and their manufacture, as well as in electrically stimulated smoking devices.</description> <cas>1137-04-8</cas> <pubchem-id>36906</pubchem-id> <chemical-formula>C12H16N2O1</chemical-formula> <weight>204.27</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T04:01:59Z</created-at> <updated-at type="dateTime">2026-08-18T18:45:05Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=CC=C2NC=C(CC(C)N)C2=C1</moldb-smiles> <moldb-formula>C12H16N2O1</moldb-formula> <moldb-inchi>InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3</moldb-inchi> <moldb-inchikey>OGNJZVNNKBZFRM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">204.273</moldb-average-mass> <moldb-mono-mass type="decimal">204.126263</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>33864</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM061120</chemdb-id> <dsstox-id>DTXSID60893758</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00017608</susdat-id> <iupac>1-(5-methoxy-1H-indol-3-yl)propan-2-amine</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Tryptamines and derivatives</subklass> <paper-count type="integer">29</paper-count> <sync-id>CED0027231</sync-id> <structure-inchikey>OGNJZVNNKBZFRM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000080001800000000100000000000000000000000000000000000000001000000000208000000008000000000000000000000000000000000000000000000000010000000000000000000000000000000100000200000000000000042000020000000040000000300000000000000000000000000000000100000000000040000000000000200000000000001000000000000000000000000000000000000000000004040000080000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000280000000000000000000000000000041000000000000005000000028000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>400000100922020080000000010820000000040000052004003420400200008c40020010028000000000010800800000042000a0808c30010002443000a0400084130400021006004090101002620000000001905001013240000422100001020c280406004082002000000054100001200680300101c0041119282802110012004000084c400008080002000a080008113c0012448014830002080000400084004300001000400002000940013c291002c00000894108481880420008404210000000040400021301800200044102800400000002005020050002040800010000100810000102000040001201422000001000108040002a4008000052000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQHQDgAAAADAQMG QGgAAAADAwEGQCgAAAADBAYAYAAAAAICBgBgAAAAAwEGAGAAAAABAwcAYAAA AAECBkAoAAAAAwQGQGgAAAADAwELAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYH aAwHCGgMCAkACQoACgsACgwACA1oDA0OaAwOAmgMDQVoDEICAAAABgIODQUE AwUGBQ0IBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:34Z</structure-indexed-at> </compound>