313176 <common-name>5-bromo-2-methoxy-4-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]phenol</common-name> <description>5-bromo-2-methoxy-4-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]phenol is a chemical compound with the formula C18H22BrNO2. It has an average molecular weight of 364.30 g/mol.</description> <cas nil="true"/> <pubchem-id>50167</pubchem-id> <chemical-formula>C18H22BrNO2</chemical-formula> <weight>364.3</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">2026-08-29T09:55:12Z</created-at> <updated-at type="dateTime">2026-08-29T09:55:12Z</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=CC=C1)NCC2=CC(=C(C=C2Br)O)OC</moldb-smiles> <moldb-formula>C18H22BrNO2</moldb-formula> <moldb-inchi>InChI=1S/C18H22BrNO2/c1-18(2,11-13-7-5-4-6-8-13)20-12-14-9-17(22-3)16(21)10-15(14)19/h4-10,20-21H,11-12H2,1-3H3</moldb-inchi> <moldb-inchikey>HYCVHJPGISIHOQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">363.08339</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM309069</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>5-bromo-2-methoxy-4-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]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>CED0264093</sync-id> <structure-inchikey>HYCVHJPGISIHOQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000804000002000000000000000000000000000000000410000000000000000000000000000000004800000000000000040000000000000000000000000000000000000020001000000000000010100000000800000000000000000010000004040000000100080000000000000000000000000000000000800000040200000800000000000000080000000000100000000000000080000000000000000000804000000080000000000000000000000000000000000000080000000000000002100000100000080010000000001000000000220000000000000000000000000000040000000000000000000000020000000000000000040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBwBgAAAAAgEGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAME IwAgAAAAAQgAaAAAAAMBAQgAKAAAAAMCBgBgAAAAAQMLAAEAAQIAAQMAAwQA BAVoDAUGaAwGB2gMBwhoDAgJaAwBCgAKCwALDAAMDWgMDQ5oDA4PaAwPEGgM EBFoDBESAA8TIA4UIBQVAAkEaAwRDGgMQgIAAAAGBQYHCAkEBg0ODxARDBcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:59Z</structure-indexed-at> </compound>