1295 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 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 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 2 6 27 3 4 19 5 20 21 7 8 22 6 23 24 25 26 9 11 10 12 13 28 14 29 15 30 16 31 17 32 18 33 17 34 18 35 36 37 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 2 1 3 4 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 5.5686 5.4641 6.3776 4.5981 7.0468 6.5468 4.5981 3.732 3.732 3.732 5.4641 2.866 3.732 2.866 5.4641 2 4.5981 2 6.001 6.0677 6.8792 4.5981 7.4616 7.5484 7.1132 6.3552 5.1079 3.1951 4.269 6.001 2.866 3.1951 2.866 6.001 1.4631 4.5981 1.4631 1.9945 1 0.5933 0.5 1.3364 2.2024 -0.5 1 -1 2 -1 0.5 -2 2.5 -2 1 -2.5 2 1.31 0.0563 0.2288 1.12 0.8757 1.7008 2.4546 2.7921 2.4094 -0.69 2.31 -0.69 -0.12 -2.31 3.12 -2.31 0.69 -3.12 2.31 3 8 8 8 8 8 8 8 8 8 8 8 8 2 7 7 8 8 9 10 11 12 13 14 15 16 4 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 2021.10.14 220 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E07A0000000000000000000000000000000160000000306000000000000000014000001C00100000000D28C11804300082C000008002204200000200002000000888800800880820228091118420002090008888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpyrrolidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diphenylmethyl)pyrrolidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpyrrolidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpyrrolidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diphenylmethyl)pyrrolidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpyrrolidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OXOBKZZXZVFOBB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 237.151749610 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H19N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 237.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 237.151749610 18 1 0 1 0 0 0 0 1 -1