25904 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 17 8 7 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 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 17 18 18 18 20 20 20 21 21 21 19 4 11 14 17 18 5 6 10 7 22 23 8 24 25 9 26 27 9 28 29 30 31 12 13 14 32 33 15 34 16 35 36 37 19 38 19 39 20 40 41 21 42 43 44 45 46 47 48 49 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 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 37 38 39 40 41 42 43 44 45 46 47 48 49 8.5 6 3.5 6.5 5.634 7.366 5.634 7.366 6.5 7 5 6.5 8 4.5 7 8.5 3 3 8 2 2 5.4219 5.0234 7.9766 7.5781 5.0234 5.4219 7.5781 7.9766 6.1015 6.8985 4.4174 5.1077 5.88 8.31 5.0826 4.3923 6.69 9.12 3.5826 2.8923 2.8923 3.5826 2 1.38 2 2 1.38 2 2.732 0.134 1 -0.7321 -1.232 -1.232 -2.232 -2.232 -2.732 0.134 0.134 1 0.134 1 1.866 1 1.866 0.134 1.866 1.866 0.134 -0.6494 -1.3397 -1.3397 -0.6494 -2.1244 -2.8147 -2.8147 -2.1244 -3.207 -3.207 -0.0781 -0.4766 1 -0.403 1.212 1.6106 2.403 1 2.0781 2.4766 -0.4766 -0.0781 2.486 1.866 1.246 0.754 0.134 -0.486 8 8 8 8 8 8 10 10 12 13 15 16 12 13 15 16 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 279 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 0 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 00000371E07A2000040000000000000000000000000000000000306000000000000000010000001E02000000000C46E19826320083000400800220420000020000200500088800080A880A262281331883300024C00198A80780C0E00E84000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexoxy]-N,N-diethyl-ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexyl]oxy-<I>N</I>,<I>N</I>-diethylethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethyl-ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)cyclohexoxy]ethyl-diethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FFCARBNHUSWRGK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.1859422 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H28ClNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.1859422 21 0 0 0 0 0 0 0 1 -1