43174741 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 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 4 5 3 6 20 4 8 15 7 16 6 9 17 18 19 10 11 21 22 23 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 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 3 2 4 8 15 3 1 4 1 3 7 16 3 1 5 1 6 9 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 5.4641 5.4641 4.5981 4.5981 6.3301 6.3301 3.732 3.732 7.1962 3.732 2.866 2.866 2 2 4.5981 4.5981 6.3301 6.5422 6.9407 5.4641 3.422 3.1951 4.042 7.5062 7.7331 6.8862 4.269 2.866 2.866 1.4631 1.4631 0.56 -1.44 -0.94 0.06 0.06 -0.94 0.56 -1.44 0.56 1.56 0.06 2.06 0.56 1.56 -1.56 0.68 0.68 -1.5226 -0.8323 -2.06 -0.9031 -1.75 -1.9769 0.0231 0.87 1.0969 1.87 -0.56 2.68 0.25 1.87 3 3 3 8 8 8 8 8 8 3 4 5 7 7 10 11 12 13 8 7 9 10 11 12 13 14 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 177 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07220000000000000000000000000000000000000003C4000000000000000010000001E00100000000C3CE19806320082C004008002204200000200002000000888800808880A262280B11987300024D00198A80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenyl-morpholine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenylmorpholine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenylmorpholine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenylmorpholine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenyl-morpholine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-2-phenyl-morpholine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FZEIVUHEODGHML-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.131014166 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H17NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CNC(C(O1)C2=CC=CC=C2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CNC(C(O1)C2=CC=CC=C2)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 21.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.131014166 14 3 0 3 0 0 0 0 1 -1