<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313272</id>
  <title nil="true"/>
  <common-name>N,n-dimethyl-2-(11-methyl-6h-benzo[c][1,5]benzoxazepin-6-yl)ethanamine</common-name>
  <description>N,n-dimethyl-2-(11-methyl-6h-benzo[c][1,5]benzoxazepin-6-yl)ethanamine is a chemical compound with the formula C18H22N2O. It has an average molecular weight of 282.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3070587</pubchem-id>
  <chemical-formula>C18H22N2O</chemical-formula>
  <weight>282.4</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">2026-08-29T10:01:22Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:01:22Z</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>CN1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C</moldb-smiles>
  <moldb-formula>C18H22N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H22N2O/c1-19(2)13-12-17-14-8-4-5-9-15(14)20(3)16-10-6-7-11-18(16)21-17/h4-11,17H,12-13H2,1-3H3</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">282.1732133</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM309165</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,n-dimethyl-2-(11-methyl-6h-benzo[c][1,5]benzoxazepin-6-yl)ethanamine</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264185</sync-id>
  <structure-inchikey>MYFFRYNCXGVUFI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000020000000000000000000000000000000000000000000000000000000000000200100000000000000000000000000000000000000000000000000000000000000000000008800000000400000000000002000000000000000000008000000000004000000000000100000000000010000200101000000040000000800000000000024000100000000140000000000000000000000100000000000000000000080000000000000000000000004000000000000000000400000000000000000000010000000000000000000000000200000000000000000000000000000040000000400800020001000000000000080000000000</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�����	�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:20:02Z</structure-indexed-at>
</compound>
