<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">281246</id>
  <title nil="true"/>
  <common-name>2-chloro-n-[(3-chlorophenyl)methyl]-n-ethylethanamine</common-name>
  <description>2-chloro-n-[(3-chlorophenyl)methyl]-n-ethylethanamine belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C11H15Cl2N and an average molecular weight of 232.15 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>46221</pubchem-id>
  <chemical-formula>C11H15Cl2N</chemical-formula>
  <weight>232.15</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">2026-08-26T21:13:45Z</created-at>
  <updated-at type="dateTime">2026-08-26T21:13:45Z</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(CCCl)CC1=CC(=CC=C1)Cl</moldb-smiles>
  <moldb-formula>C11H15Cl2N</moldb-formula>
  <moldb-inchi>InChI=1S/C11H15Cl2N/c1-2-14(7-6-12)9-10-4-3-5-11(13)8-10/h3-5,8H,2,6-7,9H2,1H3</moldb-inchi>
  <moldb-inchikey>CHTYFQZUQQBWAC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">231.0581549</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>CHEM277139</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>2-chloro-n-[(3-chlorophenyl)methyl]-n-ethylethanamine</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>Phenylmethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0233233</sync-id>
  <structure-inchikey>CHTYFQZUQQBWAC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800000000000000000000400000000000080000000100000000002000000000000000000000000000000000000000000000000000010000000000000400000008000000000000000000000000000000004000000000000000000000000000000000000104000000000000800000000001000000000000801000040200000800004000000000000000000000000000040000000000000000000000000000000000000080000000000000000008000000000000000000000000000000000000000000000000000000010080000000000000220000000000000000000000000000040000000000000000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10200000000000001082000000000000005000000202040020000044002084400800000000001000080000004200021008c30010000443000a0000084110000020000101080100000620000000001004000013240000420000000000c200404004002000000000050100000200080100101000411180000001100020040000804400008080002000a080008110c0002440010820000080000000000800300000000c00000000840003c221002c0000002410840000000000040021000100204040000000180000000050200000000004008400000000000080001000000000000010000000000001002200000100010044000020000000050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`������� ������`������@(������@h�������@(������@h�������@h�������@h�������� ����������������������������h��	h�	
h�
�h���h�	���h�B��������
	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:20Z</structure-indexed-at>
</compound>
