7681 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 2 4 5 3 11 12 6 7 13 14 15 16 17 18 8 19 9 20 10 21 10 22 23 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 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 3.732 2.866 2.866 3.732 4.5981 2 3.732 2 3.732 2.866 2.654 2.2554 4.352 3.732 3.112 4.2881 5.135 4.9081 1.4631 4.269 1.4631 4.269 2.866 1.25 0.75 -0.25 2.25 0.75 -0.75 -0.75 -1.75 -1.75 -2.25 1.3326 0.6423 2.25 2.87 2.25 0.2131 0.44 1.2869 -0.44 -0.44 -2.06 -2.06 -2.87 8 8 8 8 8 8 3 3 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 82.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0720000000000000000000000000000000000000000300000000000000000010000001C00000000000C00C118043200830000008002204200008200002000000888000804880820228091118420086080000888071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethyl-1-phenyl-methanamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethyl-1-phenylmethanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethyl-1-phenylmethanamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethyl-1-phenyl-methanamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 benzyl(dimethyl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XXBDWLFCJWSEKW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.104799 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H13N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.20622 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CC1=CC=CC=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CC1=CC=CC=C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 3.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.104799 10 0 0 0 0 0 0 0 1 1