C93H95ClF12N10O8 — CID 167619848
1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167619848) has the molecular formula C93H95ClF12N10O8 and a molecular weight of 1744.27 g/mol. Its IUPAC name is 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
| Compound Name | 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol |
|---|---|
| PubChem CID | 167619848 |
| Molecular Formula | C93H95ClF12N10O8 |
| Molecular Weight | 1744.27 g/mol |
| Exact Mass | 1742.68 |
| IUPAC Name | 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol |
| SMILES | Cc1ccccc1CN(Cc1cccnc1)CC(O)COc1ccc(C(F)(F)F)cn1.Cc1ccccc1CN(Cc1cncnc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl |
| InChI | InChI=1S/C24H25F3N2O2.C23H22ClF3N2O2.2C23H24F3N3O2/c1-18-20(8-5-13-28-18)15-29(14-19-6-3-2-4-7-19)16-22(30)17-31-23-11-9-21(10-12-23)24(25,26)27;24-22-6-2-1-5-18(22)14-29(13-17-4-3-11-28-12-17)15-20(30)16-31-21-9-7-19(8-10-21)23(25,26)27;1-17-5-2-3-7-19(17)14-29(13-18-6-4-10-27-11-18)15-21(30)16-31-22-9-8-20(12-28-22)23(24,25)26;1-17-4-2-3-5-19(17)13-29(12-18-10-27-16-28-11-18)14-21(30)15-31-22-8-6-20(7-9-22)23(24,25)26/h2-13,22,30H,14-17H2,1H3;1-12,20,30H,13-16H2;2-12,21,30H,13-16H2,1H3;2-11,16,21,30H,12-15H2,1H3 |
| InChIKey | MGZJMROHVFDEOQ-UHFFFAOYSA-N |
| XLogP | 18.54 |
| TPSA | 208.14 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 124 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1744.27 |
| LogP ≤ 5 | 18.54 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |