328548 <common-name>4-[2-[[3-[2-chloro-4-(2-methoxyethyl)phenoxy]-2-hydroxypropyl]amino]propyl]phenol</common-name> <description>4-[2-[[3-[2-chloro-4-(2-methoxyethyl)phenoxy]-2-hydroxypropyl]amino]propyl]phenol is a compound with the formula C21H28ClNO4. It has an average molecular weight of 393.90 g/mol.</description> <cas nil="true"/> <pubchem-id>3057309</pubchem-id> <chemical-formula>C21H28ClNO4</chemical-formula> <weight>393.9</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">2026-08-30T08:28:18Z</created-at> <updated-at type="dateTime">2026-08-30T08:28:18Z</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(CC1=CC=C(C=C1)O)NCC(COC2=C(C=C(C=C2)CCOC)Cl)O</moldb-smiles> <moldb-formula>C21H28ClNO4</moldb-formula> <moldb-inchi>InChI=1S/C21H28ClNO4/c1-15(11-16-3-6-18(24)7-4-16)23-13-19(25)14-27-21-8-5-17(9-10-26-2)12-20(21)22/h3-8,12,15,19,23-25H,9-11,13-14H2,1-2H3</moldb-inchi> <moldb-inchikey>ZSXYFMMPYCOCRP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.1706861</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM324441</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>4-[2-[[3-[2-chloro-4-(2-methoxyethyl)phenoxy]-2-hydroxypropyl]amino]propyl]phenol</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>CED0279136</sync-id> <structure-inchikey>ZSXYFMMPYCOCRP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000001800200800200000000000040000000000000100000000000001000000200000000000002000000000000000200000000000002000000080000000000400000000002000000000000200000000100000000000040000000020000010000000040004000100000000000000000020000000001000400000000000040000000000002000000000080000000000000000000001000000000000000004000000000400000080000004000000000080000000000000000000000000000000000002000000000000000000010000000000080000220000020000000000000000000000040000000000000000000000820000000000021000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������h��������`�������`�������`�������`�������(������@(������@(������@h�������@(������@h�������@h��������`�������`������� ������`������� ������`�����������������h���h���h���h���h�� � � ������ � ���� ��h���h���h���h���h���������������������h���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:36Z</structure-indexed-at> </compound>