16622 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 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 12 13 13 14 14 15 2 9 26 3 4 8 5 16 17 6 18 19 7 20 21 7 22 23 24 25 10 11 12 27 28 13 29 14 30 31 32 33 15 34 15 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 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 3.5 4 3.134 4.866 3.134 4.866 4 4.866 2.5 4.866 5.732 2 5.732 6.5981 6.5981 2.9219 2.5234 5.4766 5.0781 2.5234 2.9219 5.0781 5.4766 3.6015 4.3985 3.5 1.9174 2.6077 4.3291 5.732 2.5369 1.69 1.4631 5.732 7.135 7.135 0.866 -0 -0.5 -0.5 -1.5 -1.5 -2 0.5 0.866 1.5 0 1.732 2 0.5 1.5 0.0826 -0.6077 -0.6077 0.0826 -1.3923 -2.0826 -2.0826 -1.3923 -2.475 -2.475 1.486 0.654 0.2554 1.81 -0.62 2.042 2.269 1.422 2.62 0.19 1.81 8 8 8 8 8 8 8 8 10 11 13 14 10 11 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 176 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 00000371E0720000000000000000000000000000000000000000306000000000000000010000001C00100000000C88C11804320082C000008002204200008200002000000888800804880820228091118420086090008888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-1-phenyl-cyclohexanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-1-phenyl-1-cyclohexanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-ethyl-1-phenylcyclohexan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-1-phenylcyclohexan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-1-phenyl-cyclohexan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl-(1-phenylcyclohexyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IFYLVUHLOOCYBG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.167399674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H21N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1(CCCCC1)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1(CCCCC1)C2=CC=CC=C2 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 2021.10.14 203.167399674 15 0 0 0 0 0 0 0 1 1