1.0 2016-09-30 23:06:29 UTC 2020-04-22 15:12:52 UTC BMDB0003892 BMDB03892 (S)-N-Methylsalsolinol (R)-Isomer OF 1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline 1,2-DDTIQ 1,2-Dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline HBR(R)-Isomer OF 1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline HBR(S)-Isomer OF 1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline N-Methyl-(S)-salsolinol N-Methylsalsolinol C11H15NO2 193.2423 193.110278729 (1S)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol N-methylsalsolinol 53622-85-8 C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12 InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1 RKMGOUZXGHZLBJ-ZETCQYMHSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Trialkylamines 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Aromatic heteropolycyclic compounds Solid logp 1.23 ALOGPS logs -0.94 ALOGPS logp 1.59 ChemAxon pka_strongest_acidic 6.92 ChemAxon pka_strongest_basic 10.24 ChemAxon iupac (1S)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 193.2423 ChemAxon mono_mass 193.110278729 ChemAxon smiles C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12 ChemAxon formula C11H15NO2 ChemAxon inchi InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1 ChemAxon inchikey RKMGOUZXGHZLBJ-ZETCQYMHSA-N ChemAxon polar_surface_area 43.7 ChemAxon refractivity 56.29 ChemAxon polarizability 21.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10086 Specdb::CMs 38669 Specdb::CMs 137977 Specdb::CMs 145711 Specdb::MsMs 288280 Specdb::MsMs 288281 Specdb::MsMs 288282 Specdb::MsMs 327346 Specdb::MsMs 327347 Specdb::MsMs 327348 Specdb::MsMs 2431540 Specdb::MsMs 2431541 Specdb::MsMs 2431542 Specdb::MsMs 2508139 Specdb::MsMs 2508140 Specdb::MsMs 2508141 Specdb::NmrOneD 10682 Specdb::NmrOneD 10683 Specdb::NmrOneD 10684 Specdb::NmrOneD 10685 Specdb::NmrOneD 10686 Specdb::NmrOneD 10687 Specdb::NmrOneD 10688 Specdb::NmrOneD 10689 Specdb::NmrOneD 10690 Specdb::NmrOneD 10691 Specdb::NmrOneD 10692 Specdb::NmrOneD 10693 Specdb::NmrOneD 10694 Specdb::NmrOneD 10695 Specdb::NmrOneD 10696 Specdb::NmrOneD 10697 Specdb::NmrOneD 10698 Specdb::NmrOneD 10699 Specdb::NmrOneD 10700 Specdb::NmrOneD 10701 FDB023244 110618 124148