1.0 2016-10-03 18:35:52 UTC 2020-04-22 15:49:35 UTC BMDB0012309 BMDB12309 Vanillylamine 4-Hydroxy-3-methoxybenzylamine Vanillylamine hydrochloride (3-Methoxy-4-hydroxyphenyl)methylamine (4-Hydroxy-3-methoxyphenyl)methanamine 3-Methoxy-4-hydroxybenzylamine 4-Aminomethyl-2-methoxy-phenol a-amino-2-Methoxy-P-cresol alpha-amino-2-Methoxy-P-cresol C8H11NO2 153.1784 153.078978601 4-(aminomethyl)-2-methoxyphenol vanillylamine 1196-92-5 COC1=CC(CN)=CC=C1O InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3 WRPWWVNUCXQDQV-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Organic compounds Benzenoids Phenols Methoxyphenols Methoxyphenols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Benzylamines Hydrocarbon derivatives Methoxybenzenes Monoalkylamines Organopnictogen compounds Phenoxy compounds Phenylmethylamines 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Amine Anisole Aralkylamine Aromatic homomonocyclic compound Benzylamine Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenylmethylamine Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds aralkylamino compound Solid logp -0.37 Predicted by ALOGPS logp -0.37 ALOGPS logs -0.98 ALOGPS logp 0.2 ChemAxon pka_strongest_acidic 10.1 ChemAxon pka_strongest_basic 9.26 ChemAxon iupac 4-(aminomethyl)-2-methoxyphenol ChemAxon average_mass 153.1784 ChemAxon mono_mass 153.078978601 ChemAxon smiles COC1=CC(CN)=CC=C1O ChemAxon formula C8H11NO2 ChemAxon inchi InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3 ChemAxon inchikey WRPWWVNUCXQDQV-UHFFFAOYSA-N ChemAxon polar_surface_area 55.48 ChemAxon refractivity 42.98 ChemAxon polarizability 16.16 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::CMs 17412 Specdb::CMs 39911 Specdb::CMs 146707 Specdb::MsIr 2762 Specdb::MsIr 2763 Specdb::MsIr 2764 Specdb::NmrOneD 97258 Specdb::NmrOneD 97259 Specdb::NmrOneD 97260 Specdb::NmrOneD 97261 Specdb::NmrOneD 97262 Specdb::NmrOneD 97263 Specdb::NmrOneD 97264 Specdb::NmrOneD 97265 Specdb::NmrOneD 97266 Specdb::NmrOneD 97267 Specdb::NmrOneD 97268 Specdb::NmrOneD 97269 Specdb::NmrOneD 97270 Specdb::NmrOneD 97271 Specdb::NmrOneD 97272 Specdb::NmrOneD 97273 Specdb::NmrOneD 97274 Specdb::NmrOneD 97275 Specdb::NmrOneD 97276 Specdb::NmrOneD 97277 Specdb::MsMs 304501 Specdb::MsMs 304502 Specdb::MsMs 304503 Specdb::MsMs 347719 Specdb::MsMs 347720 Specdb::MsMs 347721 Specdb::MsMs 2316545 Specdb::MsMs 2316546 Specdb::MsMs 2316547 Specdb::MsMs 2621597 Specdb::MsMs 2621598 Specdb::MsMs 2621599 FDB028931 64127 C16666 46958 70966 C00053891 Vanillylamine