329020 <common-name>1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol</common-name> <description>1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol is a compound with the formula C21H31ClN2O. It has an average molecular weight of 362.90 g/mol.</description> <cas>122518-84-7</cas> <pubchem-id>3078770</pubchem-id> <chemical-formula>C21H31ClN2O</chemical-formula> <weight>362.9</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">2026-08-30T09:06:46Z</created-at> <updated-at type="dateTime">2026-08-30T09:06:46Z</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>CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC</moldb-smiles> <moldb-formula>C21H31ClN2O</moldb-formula> <moldb-inchi>InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)19-11-12-23(14-19)13-18-9-7-8-10-20(18)22/h7-12,14,16-17,21,25H,5-6,13,15H2,1-4H3</moldb-inchi> <moldb-inchikey>DXSAFOUUFFFLGO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">362.2124913</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM324913</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-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol</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>Halobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0279592</sync-id> <structure-inchikey>DXSAFOUUFFFLGO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000010000000000800000000000000000000002000000002000110000000000001003000000000000008002000000000000000000000000800000000000000800000000400000000000000000000000000000000000000000000000000000000000010000000000040000004000000000000100000000020000000000000000200040000000800400000000000000000000000100000000000000000000000000000200000004002404084000000000000000000000000000000000000000800000000000040000001000000000000010000000000008000200040000000000000000000000080040000000000000200000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMHACAAAAADBgBgAAAAAgIGAGAAAAADAQZAKAAA AAMEBkBoAAAAAwMBB0AoAAAAAwMGQGgAAAADAwEGQGgAAAADAwEGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQRACAAAAABCABgAAAAAQEGAGAAAAADAQYAYAAAAAEDBgBgAAAA AgIGAGAAAAABAwsAAQABAgACAwACBAAEBQAFBgAGBwAHCGgMCAloDAkKaAwK C2gMCQwADA0ADQ5oDA4PaAwPEGgMEBFoDBESaAwSEwAGFAAEFQAVFgAVFwAX GAALB2gMEg1oDEICAAAABQcICQoLBg4PEBESDRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:56Z</structure-indexed-at> </compound>