3100 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 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 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 19 3 6 7 12 13 4 5 20 8 10 9 11 7 21 22 23 24 14 26 15 25 16 28 17 27 29 33 34 30 31 32 18 36 19 35 18 38 19 37 40 39 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 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 3.732 2.866 4.5981 4.5981 5.4641 3.732 2.866 3.732 6.3301 5.4641 5.4641 2 3.732 3.732 7.1962 5.4641 6.3301 4.5981 7.1962 4.5981 4.3426 3.9441 2.2554 2.654 6.3301 3.1951 4.9272 6.001 2.31 4.042 4.269 3.422 1.4631 1.69 7.7331 3.1951 6.3301 6.001 7.7331 4.5981 0.25 2.75 -0.25 -1.25 0.25 1.25 1.75 -1.75 -0.25 -1.75 1.25 3.25 3.25 -2.75 0.25 -2.75 1.75 -3.25 1.25 0.37 1.1423 1.8326 1.8577 1.1674 -0.87 -1.44 1.56 -1.44 3.7869 2.7131 3.56 3.7869 3.56 2.7131 -0.06 -3.06 2.37 -3.06 1.56 -3.87 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 9 10 11 14 15 16 17 8 10 9 11 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 211 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07A2000000000000000000000000000000000000000306000000000000000014000001E00000000000C14E198063200830004008002204200000200002000000888000808880A262280311883300024C00118A80780C0E00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-benzhydryloxy-N,N-dimethyl-ethanamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diphenylmethyl)oxy-N,N-dimethylethanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-benzhydryloxy-N,N-dimethylethanamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-benzhydryloxyethyl(dimethyl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 255.162314 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C17H21NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 255.35474 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 12.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 255.162314 19 0 0 0 0 0 0 0 1 1