<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324901</id>
  <title nil="true"/>
  <common-name>2-[2-[2,4-bis(2-methylpropyl)phenoxy]ethoxy]-n,n-dimethylethanamine</common-name>
  <description>2-[2-[2,4-bis(2-methylpropyl)phenoxy]ethoxy]-n,n-dimethylethanamine is a chemical compound with the formula C20H35NO2. It has an average molecular weight of 321.50 g/mol.</description>
  <cas>66027-99-4</cas>
  <pubchem-id>105246</pubchem-id>
  <chemical-formula>C20H35NO2</chemical-formula>
  <weight>321.5</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">2026-08-30T02:24:25Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:24:25Z</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)CC1=CC(=C(C=C1)OCCOCCN(C)C)CC(C)C</moldb-smiles>
  <moldb-formula>C20H35NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H35NO2/c1-16(2)13-18-7-8-20(19(15-18)14-17(3)4)23-12-11-22-10-9-21(5)6/h7-8,15-17H,9-14H2,1-6H3</moldb-inchi>
  <moldb-inchikey>GWMJRNLPIQUVPS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">321.2667794</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5</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>CHEM320794</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>2-[2-[2,4-bis(2-methylpropyl)phenoxy]ethoxy]-n,n-dimethylethanamine</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>Phenylpropanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275547</sync-id>
  <structure-inchikey>GWMJRNLPIQUVPS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000001800200000000000000000000000000000000000000000000001000000200000000000000000000000000000000000000000000000000000000000000000000000000004000000008000008001500000000000000000000000000000000000000020000104000000000000000001000000000000000000000000040000000000000000000000000100000000000000000000000000000000020000000801004000000080000000000000200080000000000000002000000000000000000000000000000004000000000000000000000000220000000000000000000000100000040000020000000000001000020000280000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>500000000132020080000100010820000000040001052000003420400200000c40020050008000000000410000800000042100a5008c30010000643000a04000c6110400020006000090100010620000000405804001013240000622000001000c200406004082000000000054340001200080500101e0041118000002110002004000080ce0800808020240082c0008111c0812440014820000080000400080004310001010c00000000848017c25100ac00000884108401000020000400210001000840400001201800000040102800000000002004000090000000800030000000a10000100000000000200122000001020308042000e0000000052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@h�������@(������@(������@h�������@h��������(�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������`��������������������h���h���h���h��	h��
 
���������������������������������	�h�B������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:55Z</structure-indexed-at>
</compound>
