26538 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 3 25 7 30 31 4 5 6 7 8 19 9 11 10 12 20 21 22 23 24 13 26 14 27 15 28 16 29 17 32 18 33 17 34 18 35 36 37 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 4 3 7 8 19 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 2.31 5.81 3.31 4.31 3.31 3.31 4.81 4.81 2.444 2.444 4.176 4.176 2.444 2.444 4.176 4.176 3.31 3.31 4 4.2274 4.9177 5.3469 5.12 4.2731 2 1.907 1.907 4.713 4.713 6.12 6.12 1.907 1.907 4.713 4.713 3.31 3.31 0 -0.866 0 0 -1 1 -0.866 0.866 -1.5 1.5 -1.5 1.5 -2.5 2.5 -2.5 2.5 -3 3 0.5369 -1.0781 -1.4766 0.556 1.403 1.176 0.5369 -1.19 1.19 -1.19 1.19 -1.403 -0.3291 -2.81 2.81 -2.81 2.81 -3.62 3.62 3 8 8 8 8 8 8 8 8 8 8 8 8 4 5 5 6 6 9 10 11 12 13 14 15 16 8 9 11 10 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 224 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000000000000306000000000000000014000001E00100800000D44C1980432008040020080022042000002000020000008888000088808262280911080700026D00108980790C0E00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-2-methyl-1,1-diphenyl-propan-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-2-methyl-1,1-diphenyl-1-propanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-2-methyl-1,1-diphenylpropan-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-2-methyl-1,1-diphenylpropan-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-azanyl-2-methyl-1,1-diphenyl-propan-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-2-methyl-1,1-diphenyl-propan-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H19NO/c1-13(12-17)16(18,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,12,17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XGYCHIPEPHYUIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.146664230 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H19NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN)C(C1=CC=CC=C1)(C2=CC=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN)C(C1=CC=CC=C1)(C2=CC=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.146664230 18 1 0 1 0 0 0 0 1 -1