6082 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 8 8 8 7 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 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 10 10 11 12 12 13 14 14 14 15 15 15 5 25 9 14 11 15 6 22 23 6 7 16 8 17 9 10 18 19 20 12 11 21 13 13 24 26 27 28 29 30 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 5 1 6 7 16 3 1 6 4 5 8 17 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 28 29 30 31 32 3.732 2.866 6.3301 5.4641 4.5981 5.4641 4.5981 6.3301 3.732 5.4641 5.4641 3.732 4.5981 2 6.3301 4.5981 6.2002 6.0201 6.8671 6.6401 6.001 6.001 4.9272 3.1951 3.732 4.5981 1.69 1.4631 2.31 5.7101 6.3301 6.9501 1.595 0.095 -1.905 2.595 1.095 1.595 0.095 1.095 -0.405 -0.405 -1.405 -1.405 -1.905 -0.405 -2.905 1.945 2.02 0.5581 0.785 1.6319 -0.095 2.905 2.905 -1.715 2.215 -2.525 0.1319 -0.715 -0.9419 -2.905 -3.525 -2.905 3 3 8 8 8 8 8 8 5 6 7 7 9 10 11 12 16 17 9 10 12 11 13 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 189 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0723000000000000000000000000000000000000000300000000000000000010000001E00100800000C3CE198063206804006008002204200000208002020000888800608880E372284B11B80702025D01108B807F0D0B10E01000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-1-(2,5-dimethoxyphenyl)-1-propanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-1-(2,5-dimethoxyphenyl)propan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WJAJPNHVVFWKKL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 211.120843 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H17NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 211.25758 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(C1=C(C=CC(=C1)OC)OC)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(C1=C(C=CC(=C1)OC)OC)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 64.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 211.120843 15 2 0 2 0 0 0 0 1 1