142076 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 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 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 11 12 12 12 13 13 13 14 14 14 10 12 9 14 7 24 25 5 6 8 7 15 16 9 17 18 19 11 20 10 11 21 13 22 23 26 27 28 29 30 31 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 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 3.732 5.4641 8.0622 6.3301 7.1962 6.3301 7.1962 5.4641 5.4641 4.5981 4.5981 2.866 2 6.3301 7.8067 7.4082 6.8671 6.5856 6.9841 5.4641 4.0611 2.4675 3.2646 8.0622 8.5991 2.31 1.4631 1.69 6.6401 6.8671 6.0201 1.31 2.31 -2.19 -0.19 -0.69 0.81 -1.69 -0.69 1.31 0.81 -0.19 0.81 1.31 2.81 -0.7977 -0.1074 1.12 -1.5823 -2.2726 -1.31 -0.5 0.3351 0.3351 -2.81 -1.88 1.8469 1.62 0.7731 2.2731 3.12 3.3469 8 8 8 8 8 8 4 4 6 8 9 10 6 8 9 11 10 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 152 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0723000000000000000000000000000000000000000300000000000000000010000001E00100000000C04E198063206804004008002204200000208002020000888800688880D262284B11B823822A4D0110AA80790D0B00E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(4-ethoxy-3-methoxy-phenyl)ethanamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(4-ethoxy-3-methoxyphenyl)ethanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(4-ethoxy-3-methoxyphenyl)ethanamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(4-ethoxy-3-methoxy-phenyl)ethanamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(4-ethoxy-3-methoxy-phenyl)ethylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H17NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6-7,12H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AFMUTJRFLRYILG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 195.125929 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H17NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 195.25818 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=C(C=C(C=C1)CCN)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=C(C=C(C=C1)CCN)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 44.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 195.125929 14 0 0 0 0 0 0 0 1 1