C141H184F3N9O8 — CID 161323687
N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine;N-benzyl-N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]acetamide;N-benzyl-2-[(1S,3R)-3-[3-(trifluoromethyl)phenoxy]cyclohexyl]propan-1-amine;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]benzamide;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 161323687) has the molecular formula C141H184F3N9O8 and a molecular weight of 2190.07 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine;N-benzyl-N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]acetamide;N-benzyl-2-[(1S,3R)-3-[3-(trifluoromethyl)phenoxy]cyclohexyl]propan-1-amine;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]benzamide;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-2-ylmethyl)propan-1-amine.
| Compound Name | N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine;N-benzyl-N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]acetamide;N-benzyl-2-[(1S,3R)-3-[3-(trifluoromethyl)phenoxy]cyclohexyl]propan-1-amine;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]benzamide;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-2-ylmethyl)propan-1-amine |
|---|---|
| PubChem CID | 161323687 |
| Molecular Formula | C141H184F3N9O8 |
| Molecular Weight | 2190.07 g/mol |
| Exact Mass | 2188.42 |
| IUPAC Name | N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine;N-benzyl-N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]acetamide;N-benzyl-2-[(1S,3R)-3-[3-(trifluoromethyl)phenoxy]cyclohexyl]propan-1-amine;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-[(4-methylphenyl)methyl]propan-1-amine;N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]benzamide;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-2-ylmethyl)propan-1-amine |
| SMILES | CC(=O)N(Cc1ccccc1)CC(C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)C1.CC(CNCc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(C(F)(F)F)c2)C1.Cc1ccc(CNCC(C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)C2)cc1.Cc1cccc(O[C@@H]2CCC[C@H](C(C)CNC(=O)c3ccccc3)C2)c1.Cc1cccc(O[C@@H]2CCC[C@H](C(C)CNCc3ccc4nc[nH]c4c3)C2)c1.Cc1cccc(O[C@@H]2CCC[C@H](C(C)CNCc3ccccn3)C2)c1 |
| InChI | InChI=1S/C25H33NO2.C24H31N3O.C24H33NO.C23H28F3NO.C23H29NO2.C22H30N2O/c1-19-9-7-13-24(15-19)28-25-14-8-12-23(16-25)20(2)17-26(21(3)27)18-22-10-5-4-6-11-22;1-17-5-3-7-21(11-17)28-22-8-4-6-20(13-22)18(2)14-25-15-19-9-10-23-24(12-19)27-16-26-23;1-18-10-12-21(13-11-18)17-25-16-20(3)22-7-5-9-24(15-22)26-23-8-4-6-19(2)14-23;1-17(15-27-16-18-7-3-2-4-8-18)19-9-5-11-21(13-19)28-22-12-6-10-20(14-22)23(24,25)26;1-17-8-6-12-21(14-17)26-22-13-7-11-20(15-22)18(2)16-24-23(25)19-9-4-3-5-10-19;1-17-7-5-10-21(13-17)25-22-11-6-8-19(14-22)18(2)15-23-16-20-9-3-4-12-24-20/h4-7,9-11,13,15,20,23,25H,8,12,14,16-18H2,1-3H3;3,5,7,9-12,16,18,20,22,25H,4,6,8,13-15H2,1-2H3,(H,26,27);4,6,8,10-14,20,22,24-25H,5,7,9,15-17H2,1-3H3;2-4,6-8,10,12,14,17,19,21,27H,5,9,11,13,15-16H2,1H3;3-6,8-10,12,14,18,20,22H,7,11,13,15-16H2,1-2H3,(H,24,25);3-5,7,9-10,12-13,18-19,22-23H,6,8,11,14-16H2,1-2H3/t20?,23-,25+;18?,20-,22+;20?,22-,24+;17?,19-,21+;18?,20-,22+;18?,19-,22+/m000000/s1 |
| InChIKey | VKMGZKZGSKKCAL-PONSYOLQSA-N |
| XLogP | 32.34 |
| TPSA | 194.48 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.07 |
| LogP ≤ 5 | 32.34 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 14 |