204386 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 8 7 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 4 28 3 7 25 4 5 20 8 9 6 21 22 7 23 24 26 27 10 12 11 13 14 29 15 30 16 31 17 32 18 33 19 34 18 35 19 36 37 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 3 2 4 5 20 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 2.3987 2.5896 3.3987 3.3987 4.2077 3.8987 2.8987 3.3987 4.3987 2.5326 4.8987 4.2647 4.8987 2.5326 5.8987 4.2647 5.8987 3.3987 6.3987 2.8462 4.5177 4.7741 4.5051 3.8339 2 2.9635 2.2922 2.0887 1.9957 4.5887 4.8016 4.5887 1.9957 6.2087 4.8016 6.2087 3.3987 7.0187 0.2306 1.8184 1.2306 0.2306 1.8184 2.7694 2.7694 -0.7694 0.2306 -1.2694 -0.6354 -1.2694 1.0966 -2.2694 -0.6354 -2.2694 1.0966 -2.7694 0.2306 0.9491 1.2814 2.0705 2.8983 3.386 1.6268 3.386 2.8983 0.7675 -0.9594 -1.1724 -0.9594 1.6335 -2.5794 -1.1724 -2.5794 1.6335 -3.3894 0.2306 3 8 8 8 8 8 8 8 8 8 8 8 8 3 8 8 9 9 10 11 12 13 14 15 16 17 4 10 12 11 13 14 15 16 17 18 19 18 19 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000160000000306000000000000000014000001E00100800000C6CC19804300082C002008002204200000200002000000888800808880A262280911184700024D00198980790D0E00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(pyrrolidin-2-yl)methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(2-pyrrolidinyl)methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(pyrrolidin-2-yl)methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(pyrrolidin-2-yl)methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(pyrrolidin-2-yl)methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diphenyl(pyrrolidin-2-yl)methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OGCGXUGBDJGFFY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.146664230 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H19NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.146664230 19 1 0 1 0 0 0 0 1 -1