C166H194F15N17O11 — CID 161283546
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine (PubChem CID 161283546) has the molecular formula C166H194F15N17O11 and a molecular weight of 2888.46 g/mol. Its IUPAC name is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine.
| Compound Name | 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine |
|---|---|
| PubChem CID | 161283546 |
| Molecular Formula | C166H194F15N17O11 |
| Molecular Weight | 2888.46 g/mol |
| Exact Mass | 2886.49 |
| IUPAC Name | 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine |
| SMILES | CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CC(Cc4cccc(OC)c4)C3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(C)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cccc(OC)c4)CC3)cc12 |
| InChI | InChI=1S/C34H41F3N4O2.C34H40F3N3O3.C33H39F3N4O.C33H38F3N3O3.C32H36F3N3O2/c1-4-25-19-28(43-34(35,36)37)7-8-30(25)32-22-41(13-5-12-38)33-9-6-24(18-31(32)33)21-40-14-10-26(11-15-40)39-27-16-23(2)17-29(20-27)42-3;1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-3-25-20-28(41-33(34,35)36)9-10-29(25)31-22-40(15-5-14-37)32-11-8-24(19-30(31)32)21-39-16-12-26(13-17-39)38-27-7-4-6-23(2)18-27;1-3-24-19-28(42-33(34,35)36)9-10-29(24)31-22-39(15-5-14-37)32-11-8-23(18-30(31)32)21-38-16-12-25(13-17-38)41-27-7-4-6-26(20-27)40-2;1-3-25-17-27(40-32(33,34)35)9-10-28(25)30-21-38(13-5-12-36)31-11-8-23(16-29(30)31)18-37-19-24(20-37)14-22-6-4-7-26(15-22)39-2/h6-9,16-20,22,26,39H,4-5,10-15,21,38H2,1-3H3;6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;4,6-11,18-20,22,26,38H,3,5,12-17,21,37H2,1-2H3;4,6-11,18-20,22,25H,3,5,12-17,21,37H2,1-2H3;4,6-11,15-17,21,24H,3,5,12-14,18-20,36H2,1-2H3 |
| InChIKey | VFKJGIXGIJXGOE-UHFFFAOYSA-N |
| XLogP | 36.46 |
| TPSA | 296.54 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2888.46 |
| LogP ≤ 5 | 36.46 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |