327234 <common-name>[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-ethoxybenzoate</common-name> <description>[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-ethoxybenzoate is a chemical compound with the formula C21H24F3NO3. It has an average molecular weight of 395.40 g/mol.</description> <cas>94593-35-8</cas> <pubchem-id>13394785</pubchem-id> <chemical-formula>C21H24F3NO3</chemical-formula> <weight>395.4</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">2026-08-30T06:09:50Z</created-at> <updated-at type="dateTime">2026-08-30T06:09:50Z</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>CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2OCC</moldb-smiles> <moldb-formula>C21H24F3NO3</moldb-formula> <moldb-inchi>InChI=1S/C21H24F3NO3/c1-4-25(28-20(26)18-11-6-7-12-19(18)27-5-2)15(3)13-16-9-8-10-17(14-16)21(22,23)24/h6-12,14-15H,4-5,13H2,1-3H3</moldb-inchi> <moldb-inchikey>WCAKGVBIOWNBIK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">395.1708281</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</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>CHEM323127</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>[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-ethoxybenzoate</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>CED0277844</sync-id> <structure-inchikey>WCAKGVBIOWNBIK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000018000000120000000400000000000000000000044000000000010020000000000000000000000000000000040000000000000000008000000000000000000000400000000000000200000000001400000000000000000000000000140000000000000001040000010000008000000000000800000000000010004402000008000000000000000000000000001000000100200000800000000000002000000000000800800000020400000010c0000000000000000200000000000000000000000000000000000000000000400000000000220000000000000000000000000000040000000000400800000000020000300000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`������@(������@h�������@(������@h�������@h�������@h�������� ���� � ���� � ���� � ������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`��������������������������h���h�� h� h� �h����� ������������ ��(��� ��h���h���h���h���h��� ��������h���h�B������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:38Z</structure-indexed-at> </compound>