<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365105</id>
  <title nil="true"/>
  <common-name>N-methoxy-2-phenylethanamine</common-name>
  <description>N-methoxy-2-phenylethanamine is a chemical compound with the formula C9H13NO. It has an average molecular weight of 151.21 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>121190</pubchem-id>
  <chemical-formula>C9H13NO</chemical-formula>
  <weight>151.21</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">2026-09-01T15:33:03Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:33:03Z</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>CONCCC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C9H13NO</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13NO/c1-11-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3</moldb-inchi>
  <moldb-inchikey>FEGKXZFSOCPQJH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">151.099714</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM360998</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-methoxy-2-phenylethanamine</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315064</sync-id>
  <structure-inchikey>FEGKXZFSOCPQJH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000001000000100000000000000400000000000000000000040000000000000000000000000000000800000000000000000040040200004800000000000000080000000000100000000001000000000000000000000000000000000080000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000220000000200000000000000000000040000040000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>20000000020200000000000000200000000000000400000000006002000004400000000080000000000100000000000460002000042000000044300020000084110000020000000080000000420000000001004000010200000420000001800c2004040000020100000000500000002000001001000000111800000011000200400000044000000800000008000000100c00024400008000000800000000000043200000004000000008000014200002c0000000400840000000000000021000000004040000000180000000000000000000000000400000000000080000000000080000010000000000000002200000000010004000020000000052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h������������������������h���h���h��	h�	
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	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:17Z</structure-indexed-at>
</compound>
