<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293565</id>
  <title nil="true"/>
  <common-name>1-[2-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one</common-name>
  <description>1-[2-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is an organic oxygen compound with the chemical formula C14H21NO2 and an average molecular weight of 235.32 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>30277</pubchem-id>
  <chemical-formula>C14H21NO2</chemical-formula>
  <weight>235.32</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">2026-08-28T08:58:01Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:58:01Z</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)C(=O)C1=CC=CC=C1OCCN(C)C</moldb-smiles>
  <moldb-formula>C14H21NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21NO2/c1-11(2)14(16)12-7-5-6-8-13(12)17-10-9-15(3)4/h5-8,11H,9-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>NCGHKGCMNBIHHS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">235.1572289</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM289458</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-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245073</sync-id>
  <structure-inchikey>NCGHKGCMNBIHHS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000800000000800000000000000000000000000000000000000000000000001000200000000000000000000020000000000000000000000000000800000000000000000000000000000000000028000000000500000000000000000000000000010000000000000000004000000000000000000000000000000000000000000040000000800000000000000000100000000100000002000000000000000020000000000004000000080000002000000001080000000000000002000000000000000000000000000000000000000000000000000000000200000000000000000000010000000040000000000400000001000020000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`������� ������`�������`�����������������(��� ��h���h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:05:27Z</structure-indexed-at>
</compound>
