12460 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 7 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 2 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 4 6 3 5 9 4 7 15 8 16 6 17 18 19 20 21 22 23 10 11 24 25 26 12 27 13 28 14 29 14 30 31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 3 2 4 7 15 3 1 4 1 3 8 16 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 5.4641 5.4641 4.5981 4.5981 6.3301 6.3301 3.732 3.732 5.4641 3.732 2.866 2.866 2 2 4.5981 4.5981 6.5422 6.9407 6.9407 6.5422 3.422 3.1951 4.042 4.8441 5.4641 6.0841 4.269 2.866 2.866 1.4631 1.4631 0.75 -1.25 -0.75 0.25 -0.75 0.25 -1.25 0.75 -2.25 1.75 0.25 2.25 0.75 1.75 -1.37 0.87 -1.3326 -0.6423 0.1423 0.8326 -0.7131 -1.56 -1.7869 -2.25 -2.87 -2.25 2.06 -0.37 2.87 0.44 2.06 3 3 8 8 8 8 8 8 3 4 8 8 10 11 12 13 7 8 10 11 12 13 14 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 177 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07220000000000000000000000000000000000000003C4000000000000000010000001E00000000000C3CE198063200830004008002204200000200002000000888000808880A262280B11987300024C00198A80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dimethyl-2-phenyl-morpholine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dimethyl-2-phenylmorpholine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dimethyl-2-phenylmorpholine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dimethyl-2-phenyl-morpholine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dimethyl-2-phenyl-morpholine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MFOCDFTXLCYLKU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 191.131014 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H17NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 191.26948 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1C(OCCN1C)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1C(OCCN1C)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 2011.09.13 191.131014 14 2 0 2 0 0 0 0 1 1