331964 <common-name>2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylbutanoate</common-name> <description>2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylbutanoate is a chemical compound with the formula C22H26F3NO2. It has an average molecular weight of 393.40 g/mol.</description> <cas>73927-48-7</cas> <pubchem-id>52727</pubchem-id> <chemical-formula>C22H26F3NO2</chemical-formula> <weight>393.4</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">2026-08-30T13:00:19Z</created-at> <updated-at type="dateTime">2026-08-30T13:00:19Z</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>CCC(C1=CC=CC=C1)C(=O)OCCNC(C)CC2=CC(=CC=C2)C(F)(F)F</moldb-smiles> <moldb-formula>C22H26F3NO2</moldb-formula> <moldb-inchi>InChI=1S/C22H26F3NO2/c1-3-20(18-9-5-4-6-10-18)21(27)28-13-12-26-16(2)14-17-8-7-11-19(15-17)22(23,24)25/h4-11,15-16,20,26H,3,12-14H2,1-2H3</moldb-inchi> <moldb-inchikey>SFLOQLSFUISNOV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.1915636</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM327857</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylbutanoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenethylamines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282491</sync-id> <structure-inchikey>SFLOQLSFUISNOV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000005800000002000000010000000000000000000000000000000001002000000100000000000000004000000000000000000100000000000000000000000020000000000000000000020001000000100000000000000000000020000114000000000000000100000000000000000000000000000000000040001000040200000800000000000000080000000000100000000000000080000000000000400000000000480080000000040000000040000000000000000200000800000000400000000004000000000000000000000000080000220000000000000000000000000000040000000000400800000000800000200000060000000</structure-fingerprint> 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