219120 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 38 39 40 41 42 43 44 45 46 8 7 6 6 6 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 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 17 18 18 19 19 20 21 4 31 3 29 30 4 5 22 7 8 6 23 24 9 25 26 11 13 12 14 10 27 28 15 32 33 16 34 17 35 18 36 19 37 38 39 40 20 41 21 42 20 43 21 44 45 46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 3 2 4 5 22 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 38 39 40 41 42 43 44 45 46 2.31 5.176 4.31 3.31 4.81 5.81 3.31 3.31 6.31 7.31 4.176 4.176 2.444 2.444 7.81 4.176 4.176 2.444 2.444 3.31 3.31 4.1495 4.9177 4.2274 5.7023 6.3926 6.4177 5.7274 5.713 5.176 2 7.2023 7.8926 4.713 4.713 1.907 1.907 8.3469 8.12 7.2731 4.713 4.713 1.907 1.907 3.31 3.31 0 -0.5 0 0 0.866 0.866 -1 1 1.732 1.732 -1.5 1.5 -1.5 1.5 2.5981 -2.5 2.5 -2.5 2.5 -3 3 -0.5989 1.4766 1.0781 0.2554 0.654 2.3426 1.9441 -0.19 -1.12 0.5369 1.1215 1.52 -1.19 1.19 -1.19 1.19 2.2881 3.135 2.9081 -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 3 7 7 8 8 11 12 13 14 16 17 18 19 2 11 13 12 14 16 17 18 19 20 21 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 261 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000000000000306000000000000000014000001E00100800000C6CC198043200804002008002204200000200002000000888800008880A262280911180700024D00108980790C0E00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1,1-diphenyl-heptan-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1,1-diphenyl-1-heptanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1,1-diphenylheptan-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1,1-diphenylheptan-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-1,1-diphenyl-heptan-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1,1-diphenyl-heptan-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZVRZJTRBWTVKOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.193614421 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H25NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N 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 2021.10.14 283.193614421 21 1 0 1 0 0 0 0 1 -1