1.0 2016-09-30 23:10:48 UTC 2020-04-22 15:14:13 UTC BMDB0004825 BMDB04825 p-Octopamine 4-(2R-AMINO-1-hydroxyethyl)phenol Octopamine p-Hydroxyphenylethanolamine 1-(4-Hydroxyphenyl)-2-aminoethanol (RS)-Octopamine 1-(P-Hydroxyphenyl)-2-aminoethanol 2-amino-1-(4-Hydroxyphenyl)ethanol 4-Hydroxyphenethanolamine 4-[2-amino-1-Hydroxyethyl]phenol Analet DL-Octopamine ND 50 Norden Norphen Norsympathol Norsympatol Norsynephrine Norton Racemic octopamine alpha-(Aminoethyl)-4-hydroxybenzenemethanol 4-Octopamine Para-octopamine p-Octopamine C8H11NO2 153.1784 153.078978601 4-[(1R)-2-amino-1-hydroxyethyl]phenol norden 104-14-3 NC[C@H](O)C1=CC=C(O)C=C1 InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 QHGUCRYDKWKLMG-QMMMGPOBSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,2-aminoalcohols Aralkylamines Aromatic alcohols Benzene and substituted derivatives Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Aromatic homomonocyclic compounds octopamine Solid logp -0.9 SANGSTER (1994) logp -0.94 ALOGPS logs -0.95 ALOGPS logp -0.32 ChemAxon pka_strongest_acidic 9.64 ChemAxon pka_strongest_basic 8.98 ChemAxon iupac 4-[(1R)-2-amino-1-hydroxyethyl]phenol ChemAxon average_mass 153.1784 ChemAxon mono_mass 153.078978601 ChemAxon smiles NC[C@H](O)C1=CC=C(O)C=C1 ChemAxon formula C8H11NO2 ChemAxon inchi InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 ChemAxon inchikey QHGUCRYDKWKLMG-QMMMGPOBSA-N ChemAxon polar_surface_area 66.48 ChemAxon refractivity 42.47 ChemAxon polarizability 16.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2254 Specdb::MsIr 2255 Specdb::MsIr 2256 Specdb::CMs 22695 Specdb::CMs 38816 Specdb::CMs 102692 Specdb::CMs 102693 Specdb::CMs 157008 Specdb::MsMs 76851 Specdb::MsMs 76852 Specdb::MsMs 76853 Specdb::MsMs 136797 Specdb::MsMs 136798 Specdb::MsMs 136799 Specdb::MsMs 440093 Specdb::MsMs 451921 Specdb::MsMs 2237888 Specdb::MsMs 2239671 Specdb::MsMs 2240304 Specdb::MsMs 2241418 Specdb::MsMs 2242388 Specdb::MsMs 2243455 Specdb::MsMs 2244182 Specdb::MsMs 2245896 Specdb::MsMs 2246367 Specdb::MsMs 2247934 Specdb::MsMs 2248320 Specdb::MsMs 2250037 Specdb::MsMs 2250330 Specdb::MsMs 2252075 Specdb::MsMs 2746519 Specdb::MsMs 2746520 Specdb::MsMs 2746521 Specdb::NmrOneD 54642 Specdb::NmrOneD 54643 Specdb::NmrOneD 54644 Specdb::NmrOneD 54645 Specdb::NmrOneD 54646 Specdb::NmrOneD 54647 Specdb::NmrOneD 54648 Specdb::NmrOneD 54649 Specdb::NmrOneD 54650 Specdb::NmrOneD 54651 Specdb::NmrOneD 54652 Specdb::NmrOneD 54653 Specdb::NmrOneD 54654 Specdb::NmrOneD 54655 Specdb::NmrOneD 54656 Specdb::NmrOneD 54657 Specdb::NmrOneD 54658 Specdb::NmrOneD 54659 Specdb::NmrOneD 54660 Specdb::NmrOneD 54661 FDB010584 389242 44715 440266 OTR C04227 C00001425 Octopamine 7087 Hinsberg, O. Nucleus-substituted hydroxyl derivatives of b-amino-a-hydroxy-a-arylethanes and b-amino-a-bisarylethanes. (1923), DE 373286 CAN 18:14396 AN 1924:14396