97711 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 8 9 9 10 10 11 11 12 12 13 13 14 4 5 3 6 20 4 7 8 15 16 6 9 17 18 19 21 22 23 24 25 26 10 11 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 1 1 1 2 1 1 1 2 1 2 1 1 1 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 3.866 3.866 3 3 4.732 4.732 2 2.5 5.5981 6.4641 5.5981 7.3301 6.4641 7.3301 2.788 2.3894 4.732 4.9441 5.3426 3.866 2 1.38 2 1.9631 2.19 3.0369 6.4641 5.0611 7.8671 6.4641 7.8671 0.56 -1.44 -0.94 0.06 0.06 -0.94 -0.94 -1.806 0.56 0.06 1.56 0.56 2.06 1.56 0.6426 -0.0477 0.68 -1.5226 -0.8323 -2.06 -0.32 -0.94 -1.56 -1.496 -2.343 -2.116 -0.56 1.87 0.25 2.68 1.87 3 8 8 8 8 8 8 5 9 9 10 11 12 13 9 10 11 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 185 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07220000000000000000000000000000000000000003C4000000000000000010000001E00100000000C9CE19806320082C004008002204200000200002000000888800808880A262280B11987300024D00198A80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenyl-morpholine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenylmorpholine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenylmorpholine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenylmorpholine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenyl-morpholine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,5-dimethyl-2-phenyl-morpholine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KJUOROGOOZJYAI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.131014166 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H17NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(COC(CN1)C2=CC=CC=C2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(COC(CN1)C2=CC=CC=C2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.131014166 14 1 0 1 0 0 0 0 1 -1