2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C99H101F18N9O6 — CID 167660510

About 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167660510) has the molecular formula C99H101F18N9O6 and a molecular weight of 1854.92 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• PubChem CID: 167660510
• Molecular Formula: C99H101F18N9O6
• Molecular Weight: 1854.92 g/mol
• Exact Mass: 1853.76
• IUPAC Name: 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• SMILES: CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1cccnc1)C(F)(F)F.Cc1ccccc1CN(Cc1cccnc1)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1ccnc1C1c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C26H26F6N2O.C25H24F6N2O2.C25H27F3N2O2.C23H24F3N3O/c1-24(2,18-35-22-11-9-21(10-12-22)25(27,28)29)17-34(15-19-6-5-13-33-14-19)16-20-7-3-4-8-23(20)26(30,31)32;1-17-5-2-3-6-19(17)14-33(23(25(29,30)31)18-7-4-12-32-13-18)15-21(34)16-35-22-10-8-20(9-11-22)24(26,27)28;1-19-6-3-4-8-21(19)16-30(15-20-7-5-13-29-14-20)17-24(2,31)18-32-23-11-9-22(10-12-23)25(26,27)28;1-28-15-12-27-22(28)21-20-6-3-2-5-17(20)11-14-29(21)13-4-16-30-19-9-7-18(8-10-19)23(24,25)26/h3-14H,15-18H2,1-2H3;2-13,21,23,34H,14-16H2,1H3;3-14,31H,15-18H2,1-2H3;2-3,5-10,12,15,21H,4,11,13-14,16H2,1H3/t;21?,23-;;/m.0../s1
• InChIKey: RWUIUPVOBIZRRX-JFACGJHDSA-N
• XLogP: 23.28
• TPSA: 146.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1854.92
LogP ≤ 5	23.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167660510) is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

What is the SMILES notation for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The canonical SMILES for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1cccnc1)C(F)(F)F.Cc1ccccc1CN(Cc1cccnc1)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1ccnc1C1c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The InChIKey is RWUIUPVOBIZRRX-JFACGJHDSA-N. The full InChI is InChI=1S/C26H26F6N2O.C25H24F6N2O2.C25H27F3N2O2.C23H24F3N3O/c1-24(2,18-35-22-11-9-21(10-12-22)25(27,28)29)17-34(15-19-6-5-13-33-14-19)16-20-7-3-4-8-23(20)26(30,31)32;1-17-5-2-3-6-19(17)14-33(23(25(29,30)31)18-7-4-12-32-13-18)15-21(34)16-35-22-10-8-20(9-11-22)24(26,27)28;1-19-6-3-4-8-21(19)16-30(15-20-7-5-13-29-14-20)17-24(2,31)18-32-23-11-9-22(10-12-23)25(26,27)28;1-28-15-12-27-22(28)21-20-6-3-2-5-17(20)11-14-29(21)13-4-16-30-19-9-7-18(8-10-19)23(24,25)26/h3-14H,15-18H2,1-2H3;2-13,21,23,34H,14-16H2,1H3;3-14,31H,15-18H2,1-2H3;2-3,5-10,12,15,21H,4,11,13-14,16H2,1H3/t;21?,23-;;/m.0../s1.

What are the key properties of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1854.92 g/mol, XLogP of 23.28, 33 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine;1-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167660510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).