1.0 2016-09-30 23:05:37 UTC 2020-04-22 15:12:36 UTC BMDB0003633 BMDB03633 N-Methyltyramine 4-Hydroxy-N-methylphenethylamine Methyl-4-tyramine p-(2-Methylaminoethyl)phenol 4-(2-(Methylamino)ethyl)-phenol 4-(2-Methylaminoethyl)phenol 4-[2-(Methylamino)ethyl]-phenol 4-[2-(Methylamino)ethyl]phenol Methyl tyramine N-Methyl-p-tyramine N-Methyltyraminium NMT p-(2-(Methylamino)ethyl)phenol p-[2-(Methylamino)ethyl]-phenol {p-[2-(methylamino)ethyl]phenol} N-Methyltyrosamine Methyl-4-tyramine hydrochloride Methyl-4-tyramine hydrobromide C9H13NO 151.2056 151.099714043 4-[2-(methylamino)ethyl]phenol N-methyltyramine 370-98-9 CNCCC1=CC=C(O)C=C1 InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. Organic compounds Benzenoids Benzene and substituted derivatives Phenethylamines Phenethylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Dialkylamines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic homomonocyclic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds Tyramine derivatives tyramines Solid logp 1.455 logp 0.48 ALOGPS logs -1.65 ALOGPS logp 0.96 ChemAxon pka_strongest_acidic 10.54 ChemAxon pka_strongest_basic 9.82 ChemAxon iupac 4-[2-(methylamino)ethyl]phenol ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles CNCCC1=CC=C(O)C=C1 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 ChemAxon inchikey AXVZFRBSCNEKPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 32.26 ChemAxon refractivity 46.04 ChemAxon polarizability 17.42 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 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 18054 Specdb::CMs 38641 Specdb::CMs 158208 Specdb::EiMs 1722 Specdb::NmrOneD 28442 Specdb::NmrOneD 28443 Specdb::NmrOneD 28444 Specdb::NmrOneD 28445 Specdb::NmrOneD 28446 Specdb::NmrOneD 28447 Specdb::NmrOneD 28448 Specdb::NmrOneD 28449 Specdb::NmrOneD 28450 Specdb::NmrOneD 28451 Specdb::NmrOneD 28452 Specdb::NmrOneD 28453 Specdb::NmrOneD 28454 Specdb::NmrOneD 28455 Specdb::NmrOneD 28456 Specdb::NmrOneD 28457 Specdb::NmrOneD 28458 Specdb::NmrOneD 28459 Specdb::NmrOneD 28460 Specdb::NmrOneD 28461 Specdb::MsMs 99918 Specdb::MsMs 99919 Specdb::MsMs 99920 Specdb::MsMs 165141 Specdb::MsMs 165142 Specdb::MsMs 165143 Specdb::MsMs 2442109 Specdb::MsMs 2442110 Specdb::MsMs 2442111 Specdb::MsMs 2520251 Specdb::MsMs 2520252 Specdb::MsMs 2520253 Specdb::MsIr 35 Specdb::MsIr 77 Specdb::MsIr 2022 Specdb::MsIr 2023 Specdb::MsIr 2024 FDB000435 9345 17458 9727 C02442 C00027432 N-Methyltyramine