<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307005</id>
  <title nil="true"/>
  <common-name>N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>135417139</pubchem-id>
  <chemical-formula>C17H18N2</chemical-formula>
  <weight>250.34</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">2026-08-29T00:55:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T00:55:46Z</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>CN=C1C(CCC2=CC=CC=C2N1)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C17H18N2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18N2/c1-18-17-15(13-7-3-2-4-8-13)12-11-14-9-5-6-10-16(14)19-17/h2-10,15H,11-12H2,1H3,(H,18,19)</moldb-inchi>
  <moldb-inchikey>FVCPCHXBTBDXNO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">250.1469986</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM302898</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>N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine</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>Benzazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0258057</sync-id>
  <structure-inchikey>FVCPCHXBTBDXNO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000000000000020000000000000004000000000000800000000080000000000000000000000000000000000000000002000000000000004004000000000000000000000000000000000000000000000000020001800000000000000000100000000048000000800000200000000000000000000100000000080000000001000000000004000000000000080020000000000000000002000000000000000000000000000000400000000000000001000008000008000000200200000000000000000000000020000140000000000000000000000000020000000000000000</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�
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������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:15:20Z</structure-indexed-at>
</compound>
