<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309136</id>
  <title nil="true"/>
  <common-name>3-(3-chloro-4-cyclohexylphenyl)-n,n-dimethylpropan-1-amine</common-name>
  <description>3-(3-chloro-4-cyclohexylphenyl)-n,n-dimethylpropan-1-amine is a chemical compound with the formula C17H26ClN. It has an average molecular weight of 279.80 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3044148</pubchem-id>
  <chemical-formula>C17H26ClN</chemical-formula>
  <weight>279.8</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">2026-08-29T03:35:29Z</created-at>
  <updated-at type="dateTime">2026-08-29T03:35:29Z</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(C)CCCC1=CC(=C(C=C1)C2CCCCC2)Cl</moldb-smiles>
  <moldb-formula>C17H26ClN</moldb-formula>
  <moldb-inchi>InChI=1S/C17H26ClN/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15/h10-11,13,15H,3-9,12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>OLDZLPSYIBAQMJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">279.1753775</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.7</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>CHEM305029</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-(3-chloro-4-cyclohexylphenyl)-n,n-dimethylpropan-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>Phenylpropylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260147</sync-id>
  <structure-inchikey>OLDZLPSYIBAQMJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800000800000010000000000000000000000000000000000000000000200000000000002000000000000000000000000000000000000000000000000400000000000000000000008000000000400000000000000000000000000000000000000000000104020000000020000220000002000000000101801000040000000008000000000000000100000000000000001001000000000000000000044000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000220000000000000000000000000000040000000010000000101000000000000800000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`������@(������@h�������@(������@(������@h�������@h��������`�������`�������`�������`�������`�������`������� �������������������������h���h��	h�	
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	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:55Z</structure-indexed-at>
</compound>
