5032 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 8 7 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 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 4 21 3 9 18 4 6 13 5 14 7 8 15 16 17 10 19 11 20 22 23 24 12 25 12 26 27 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 3 2 4 6 13 3 1 4 1 3 5 14 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 2 3.732 3.732 2.866 2.866 4.5981 2 3.732 4.5981 2 3.732 2.866 4.4682 2.866 4.2881 5.135 4.9081 3.1951 1.4631 4.269 2 4.9081 5.135 4.2881 1.4631 4.269 2.866 1 2 1 0.5 -0.5 0.5 -1 -1 2.5 -2 -2 -2.5 1.425 1.35 -0.0369 0.19 1.0369 2.31 -0.69 -0.69 1.62 1.9631 2.81 3.0369 -2.31 -2.31 -3.12 3 3 8 8 8 8 8 8 3 4 5 5 7 8 10 11 13 14 7 8 10 11 12 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 121 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0722000000000000000000000000000000000000000300000000000000000010000001E00100800000C3CE19806320082C002008002204200000200002000000888800808880A362280911184700024D00118980790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(methylamino)-1-phenyl-propan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(methylamino)-1-phenyl-1-propanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(methylamino)-1-phenylpropan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(methylamino)-1-phenyl-propan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(methylamino)-1-phenyl-propan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KWGRBVOPPLSCSI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 165.115364 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H15NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 165.2322 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(C1=CC=CC=C1)O)NC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(C1=CC=CC=C1)O)NC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 32.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 165.115364 12 2 0 2 0 0 0 0 1 1