289353 <common-name>1-(4-chloro-2-methylanilino)-3-(propan-2-ylamino)propan-2-ol</common-name> <description>1-(4-chloro-2-methylanilino)-3-(propan-2-ylamino)propan-2-ol belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C13H21ClN2O and an average molecular weight of 256.77 g/mol.</description> <cas nil="true"/> <pubchem-id>209589</pubchem-id> <chemical-formula>C13H21ClN2O</chemical-formula> <weight>256.77</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">2026-08-28T02:48:01Z</created-at> <updated-at type="dateTime">2026-08-28T02:48:01Z</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>CC1=C(C=CC(=C1)Cl)NCC(CNC(C)C)O</moldb-smiles> <moldb-formula>C13H21ClN2O</moldb-formula> <moldb-inchi>InChI=1S/C13H21ClN2O/c1-9(2)15-7-12(17)8-16-13-5-4-11(14)6-10(13)3/h4-6,9,12,15-17H,7-8H2,1-3H3</moldb-inchi> <moldb-inchikey>XWGMISGMHKVJMR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">256.134241</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM285246</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-(4-chloro-2-methylanilino)-3-(propan-2-ylamino)propan-2-ol</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>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0241046</sync-id> <structure-inchikey>XWGMISGMHKVJMR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000440008000000080100000000000001020000000000000000000000000000000000000000000000000000000000000000000400000100002000000000000000000000000000000000000000000020000010080000000000000100000000000000000000000000000000000000800000040000000000000000000000080000000000000000080000000000000000000000000000000000008080100000080000020000000000000000000040000000000020000000000000000000000000010000000002000000200000000000000000000000000800040000000000000000000000000000000000000020200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwER ACAAAAABBwBoAAAAAwIBBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICBwBgAAAA AgEGAGAAAAADAQYAYAAAAAEDBgBgAAAAAQMIAGAAAAABAQsAAQABAmgMAgNo DAMEaAwEBWgMBQZoDAUHAAIIIAgJAAkKAAoLAAsMAAwNAA0OAA0PAAoQAAYB aAxCAQAAAAYBBgUEAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:15Z</structure-indexed-at> </compound>