<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">301203</id>
  <title nil="true"/>
  <common-name>3-(4-fluorophenyl)-n-methyl-3-phenylprop-2-en-1-amine</common-name>
  <description>3-(4-fluorophenyl)-n-methyl-3-phenylprop-2-en-1-amine belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C16H16FN and an average molecular weight of 241.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>89455</pubchem-id>
  <chemical-formula>C16H16FN</chemical-formula>
  <weight>241.3</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">2026-08-28T18:11:26Z</created-at>
  <updated-at type="dateTime">2026-08-28T18:11:26Z</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>CNCC=C(C1=CC=CC=C1)C2=CC=C(C=C2)F</moldb-smiles>
  <moldb-formula>C16H16FN</moldb-formula>
  <moldb-inchi>InChI=1S/C16H16FN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3</moldb-inchi>
  <moldb-inchikey>DCLZVPBJDFMYKZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">241.1266777</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM297096</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>3-(4-fluorophenyl)-n-methyl-3-phenylprop-2-en-1-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0252453</sync-id>
  <structure-inchikey>DCLZVPBJDFMYKZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>802000000000000000000000040000000000000000000000000000000000000000000000000006000000000000000000000100000000000000000000000000000000000000000000000000001210000000000000000000000000010000000000000000000000000000000000000000000000000000000000000040000400800080000000000080000000000100000000000000000000000000000000000000000000084000002000020000000000000000000000008000000000000000000001000000000000020000004000000000000200000000000000000000000000000040000000000000800000000000004010000000000000</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����
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  <structure-indexed-at type="dateTime">2026-09-19T05:11:00Z</structure-indexed-at>
</compound>
