284992 <common-name>1-(4-amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethanol</common-name> <description>1-(4-amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethanol belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H18ClFN2O and an average molecular weight of 260.73 g/mol.</description> <cas nil="true"/> <pubchem-id>41999</pubchem-id> <chemical-formula>C12H18ClFN2O</chemical-formula> <weight>260.73</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">2026-08-27T20:37:54Z</created-at> <updated-at type="dateTime">2026-08-27T20:37:54Z</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)(C)NCC(C1=CC(=C(C(=C1)Cl)N)F)O</moldb-smiles> <moldb-formula>C12H18ClFN2O</moldb-formula> <moldb-inchi>InChI=1S/C12H18ClFN2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3</moldb-inchi> <moldb-inchikey>SCEUZLWOPBNTIY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.1091691</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM280885</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-amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)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>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0236833</sync-id> <structure-inchikey>SCEUZLWOPBNTIY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000804000002000000000000000000000000000100000000004100000000000000000000002000000800000000000010000000000000000000000000000400000000012000000800000000000000010000000000000000000000000010000000010000000100000000000000002000000000000000000000000000040000000000000000000000080001000000000800000000000000000000000000000000800002400080000000000000000004000000000000000000000000000002000000000000000000000000010000000000000000000000000000000000000008000000040000000000000800000000001000000000200000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������@(������@h�������@(������@(������@(������@h�������� ������h������ � ������`�����������������������������h�� h� h� �h���h�� � � �������h�B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:06Z</structure-indexed-at> </compound>