1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

C120H123F18N11O8S — CID 167547001

About 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 167547001) has the molecular formula C120H123F18N11O8S and a molecular weight of 2222.41 g/mol. Its IUPAC name is 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
• PubChem CID: 167547001
• Molecular Formula: C120H123F18N11O8S
• Molecular Weight: 2222.41 g/mol
• Exact Mass: 2220.91
• IUPAC Name: 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
• SMILES: CC1(c2cccnc2)Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1cncs1.Cn1ccnc1C1Cc2ccccc2CN1CCCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN(Cc2cccnc2)Cc2ccccc2C(F)(F)F)cc1.[2H]C(C)(c1cccnc1)N(Cc1ccccc1C)CC(O)COc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H25F3N2O2.C25H27F3N2O2.C24H22F6N2O.C23H24F3N3O.C23H25F3N2O2S/c1-24(21-7-4-12-29-14-21)13-18-5-2-3-6-19(18)15-30(24)16-22(31)17-32-23-10-8-20(9-11-23)25(26,27)28;1-18-6-3-4-7-21(18)15-30(19(2)20-8-5-13-29-14-20)16-23(31)17-32-24-11-9-22(10-12-24)25(26,27)28;25-23(26,27)20-8-10-21(11-9-20)33-14-4-13-32(16-18-5-3-12-31-15-18)17-19-6-1-2-7-22(19)24(28,29)30;1-28-13-11-27-22(28)21-15-17-5-2-3-6-18(17)16-29(21)12-4-14-30-20-9-7-19(8-10-20)23(24,25)26;1-16-5-3-4-6-18(16)12-28(17(2)22-11-27-15-31-22)13-20(29)14-30-21-9-7-19(8-10-21)23(24,25)26/h2-12,14,22,31H,13,15-17H2,1H3;3-14,19,23,31H,15-17H2,1-2H3;1-3,5-12,15H,4,13-14,16-17H2;2-3,5-11,13,21H,4,12,14-16H2,1H3;3-11,15,17,20,29H,12-14H2,1-2H3/i;19D
• InChIKey: BXOFNHIVHISJOY-OXPWOVCJSA-N
• XLogP: 27.30
• TPSA: 192.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.41
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?

The IUPAC name of 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 167547001) is 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

What is the SMILES notation for 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?

The canonical SMILES for 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CC1(c2cccnc2)Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1cncs1.Cn1ccnc1C1Cc2ccccc2CN1CCCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN(Cc2cccnc2)Cc2ccccc2C(F)(F)F)cc1.[2H]C(C)(c1cccnc1)N(Cc1ccccc1C)CC(O)COc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?

The InChIKey is BXOFNHIVHISJOY-OXPWOVCJSA-N. The full InChI is InChI=1S/C25H25F3N2O2.C25H27F3N2O2.C24H22F6N2O.C23H24F3N3O.C23H25F3N2O2S/c1-24(21-7-4-12-29-14-21)13-18-5-2-3-6-19(18)15-30(24)16-22(31)17-32-23-10-8-20(9-11-23)25(26,27)28;1-18-6-3-4-7-21(18)15-30(19(2)20-8-5-13-29-14-20)16-23(31)17-32-24-11-9-22(10-12-24)25(26,27)28;25-23(26,27)20-8-10-21(11-9-20)33-14-4-13-32(16-18-5-3-12-31-15-18)17-19-6-1-2-7-22(19)24(28,29)30;1-28-13-11-27-22(28)21-15-17-5-2-3-6-18(17)16-29(21)12-4-14-30-20-9-7-19(8-10-20)23(24,25)26;1-16-5-3-4-6-18(16)12-28(17(2)22-11-27-15-31-22)13-20(29)14-30-21-9-7-19(8-10-21)23(24,25)26/h2-12,14,22,31H,13,15-17H2,1H3;3-14,19,23,31H,15-17H2,1-2H3;1-3,5-12,15H,4,13-14,16-17H2;2-3,5-11,13,21H,4,12,14-16H2,1H3;3-11,15,17,20,29H,12-14H2,1-2H3/i;19D;;;.

What are the key properties of 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?

1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 2222.41 g/mol, XLogP of 27.30, 39 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;1-[(2-methylphenyl)methyl-[1-(1,3-thiazol-5-yl)ethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 167547001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).