<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">284929</id>
  <title nil="true"/>
  <common-name>N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine</common-name>
  <description>N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine belongs to the benzo-1,4-dioxanes, a subclass of benzodioxanes within the organic compounds. It is an organoheterocyclic compound with the formula C12H17NO3 and an average molecular weight of 223.27 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>57705</pubchem-id>
  <chemical-formula>C12H17NO3</chemical-formula>
  <weight>223.27</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">2026-08-27T20:33:58Z</created-at>
  <updated-at type="dateTime">2026-08-27T20:33:58Z</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>CCNCC1COC2=C(O1)C(=CC=C2)OC</moldb-smiles>
  <moldb-formula>C12H17NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C12H17NO3/c1-3-13-7-9-8-15-11-6-4-5-10(14-2)12(11)16-9/h4-6,9,13H,3,7-8H2,1-2H3</moldb-inchi>
  <moldb-inchikey>OLAFEUJJSIORHL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">223.1208434</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM280822</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-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine</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>Organoheterocyclic compounds</superklass>
  <klass>Benzodioxanes</klass>
  <subklass>Benzo-1,4-dioxanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0236772</sync-id>
  <structure-inchikey>OLAFEUJJSIORHL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000800000000000000000000000000000000400000000400000000002000000000000000000000000000000200000400000000000000000000000000000000000000000000000000000808000000100000000000002000000000000000000000140000000000000000000020000000000000000000800100001000041000000800000000000000080000000000000000000000000000000000200000000000000000040080101002000000000000000004000000000000080000000000000000800000000000000000000000000000200000200000000000000000000000000000040000000400010000000000020000000000002002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������(������@(������@(�������(������@(������@h�������@h�������@h��������(�������`�������������������������� ��h��	 �
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  <structure-indexed-at type="dateTime">2026-09-19T04:59:03Z</structure-indexed-at>
</compound>
