<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">294077</id>
  <title nil="true"/>
  <common-name>1-(2,6-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol</common-name>
  <description>1-(2,6-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H24N2O and an average molecular weight of 236.35 g/mol.</description>
  <cas>20013-95-0</cas>
  <pubchem-id>209583</pubchem-id>
  <chemical-formula>C14H24N2O</chemical-formula>
  <weight>236.35</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">2026-08-28T09:39:32Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:39:32Z</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>CC1=C(C(=CC=C1)C)NCC(CNC(C)C)O</moldb-smiles>
  <moldb-formula>C14H24N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H24N2O/c1-10(2)15-8-13(17)9-16-14-11(3)6-5-7-12(14)4/h5-7,10,13,15-17H,8-9H2,1-4H3</moldb-inchi>
  <moldb-inchikey>ZUXMPRUEENZMDR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">236.1888634</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM289970</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>1-(2,6-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol</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>Xylenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245560</sync-id>
  <structure-inchikey>ZUXMPRUEENZMDR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000040000000000000040000000000000100000000000001000000000000000000000000400000000000000000000000000000000000000000000000000100002000000000000000000000000000000000000000000020000010000000000000000000000000000000000000000000000000000000801000040000000800000000000000080000000000000000000000000000000000000000000000000000000080100000080000000000000000400000000040000000000020000000000000000000000000004000000002000000200000000000000000000000000000040000000000000000000000000000001000000020200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@h�������@h�������@h��������`�������h��������`�������`�������`�������`�������`�������`�������`�������`�����������h���h���h���h���h������ �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:05:48Z</structure-indexed-at>
</compound>
