3336 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 47 48 49 7 6 6 6 6 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 1 2 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 23 23 24 4 7 31 3 5 6 25 4 26 27 28 29 10 12 11 13 8 9 30 14 15 32 33 34 16 35 17 36 18 37 19 38 22 39 23 40 20 41 21 42 20 43 21 44 45 46 24 47 24 48 49 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 7 1 8 9 30 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 47 48 49 4.5981 6.3301 5.4641 5.4641 6.3301 7.1962 4.5981 3.732 5.4641 5.4641 8.0622 7.1962 7.1962 3.732 2.866 5.4641 8.9282 7.1962 8.0622 6.3301 8.9282 2.866 2 2 5.7932 4.8535 5.252 6.0747 5.6762 5.3342 4.0611 5.7741 6.001 5.1541 4.9272 8.0622 7.7331 6.6592 4.269 2.866 4.9272 9.4651 7.7331 8.0622 6.3301 9.4651 2.866 1.4631 1.4631 1 -1 -0.5 0.5 -2 -0.5 2 2.5 2.5 -2.5 -1 -2.5 0.5 3.5 2 -3.5 -0.5 -3.5 1 -4 0.5 4 2.5 3.5 -1.31 -0.3923 -1.0826 0.3923 1.0826 1.575 0.69 1.9631 2.81 3.0369 -2.19 -1.62 -2.19 0.81 3.81 1.38 -3.81 -0.81 -3.81 1.62 -4.62 0.81 4.62 2.19 3.81 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 8 10 11 12 13 14 15 16 17 18 19 22 23 10 12 11 13 30 14 15 16 17 18 19 22 23 20 21 20 21 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 303 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A00000000000000000000000000000000000000003060C0000000000000015000001C00100000000D28C11804320082C000008002204200008200002000000888800804880820228091118420086090008888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenyl-N-(1-phenylethyl)-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenyl-<I>N</I>-(1-phenylethyl)propan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-diphenylpropyl(1-phenylethyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NMKSAYKQLCHXDK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.198699802 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H25N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C1=CC=CC=C1)NCCC(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 2021.10.14 315.198699802 24 1 0 1 0 0 0 0 1 1