<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293990</id>
  <title nil="true"/>
  <common-name>N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropan-1-amine</common-name>
  <description>N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropan-1-amine belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H23NO and an average molecular weight of 221.34 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3064403</pubchem-id>
  <chemical-formula>C14H23NO</chemical-formula>
  <weight>221.34</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">2026-08-28T09:33:21Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:33:21Z</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>CC(C)CNC(C)CC1=CC=CC=C1OC</moldb-smiles>
  <moldb-formula>C14H23NO</moldb-formula>
  <moldb-inchi>InChI=1S/C14H23NO/c1-11(2)10-15-12(3)9-13-7-5-6-8-14(13)16-4/h5-8,11-12,15H,9-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>JCOWNZLWONPHNH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">221.1779644</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM289883</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-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropan-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>Phenethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245474</sync-id>
  <structure-inchikey>JCOWNZLWONPHNH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001800000000000000000000000000000000000000000400000001000000000000000000000000000000000000000020000000000000000080000000080000000000002000000000000000000000100000000000000000000020000000000000040000000000000000000000000000000000000000000000000000040000000800000000000000080000000000100004000000000000000000000000000000004000000080000002000000000000000000008000000000080000000000000040000000000000004000000000000000000000200000000000000000000000100000040000000000000000000000820000000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������������������������������	h�	
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	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:44Z</structure-indexed-at>
</compound>
