1.0 2016-06-03 10:40:33 UTC 2026-03-26 21:40:52 UTC (1R)-2-(benzylamino)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol SmallMolecule (1R)-2-(benzylamino)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C18H20FNO2 and an average molecular weight of 301.36 g/mol. It has been identified in drinking water and water supply sources. The recorded exposure route for this substance is oral. C18H20FNO2 301.361 301.147807051 (1R)-2-(benzylamino)-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]ethan-1-ol (1R)-2-(benzylamino)-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]ethanol 1030385-16-0 [H][C@@](O)(CNCC1=CC=CC=C1)[C@]1([H])CCC2=CC(F)=CC=C2O1 InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m1/s1 UWHPUMRASBVSQY-AEFFLSMTSA-N Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans 1-benzopyrans 1,2-aminoalcohols Alkyl aryl ethers Aralkylamines Aryl fluorides Benzylamines Dialkylamines Hydrocarbon derivatives Organofluorides Organopnictogen compounds Oxacyclic compounds Phenylmethylamines Secondary alcohols 1,2-aminoalcohol 1-benzopyran Alcohol Alkyl aryl ether Amine Aralkylamine Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Benzenoid Benzylamine Ether Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenylmethylamine Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic heteropolycyclic compounds Detected and Not Quantified logp 3.40 ALOGPS logs -4.05 ALOGPS solubility 2.70e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 13.82 ChemAxon pka_strongest_basic 8.7 ChemAxon iupac (1R)-2-(benzylamino)-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]ethan-1-ol ChemAxon average_mass 301.361 ChemAxon mono_mass 301.147807051 ChemAxon smiles [H][C@@](O)(CNCC1=CC=CC=C1)[C@]1([H])CCC2=CC(F)=CC=C2O1 ChemAxon formula C18H20FNO2 ChemAxon inchi InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m1/s1 ChemAxon inchikey UWHPUMRASBVSQY-AEFFLSMTSA-N ChemAxon polar_surface_area 41.49 ChemAxon refractivity 83.62 ChemAxon polarizability 31.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafc1ed90> 20575860 19201146