1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C138H148ClF15N14O9S — CID 167618506

About 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 167618506) has the molecular formula C138H148ClF15N14O9S and a molecular weight of 2501.29 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
• PubChem CID: 167618506
• Molecular Formula: C138H148ClF15N14O9S
• Molecular Weight: 2501.29 g/mol
• Exact Mass: 2499.08
• IUPAC Name: 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2C2=CC=CC2)cc1.[2H]C([2H])(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C)cc1
• InChI: InChI=1S/C24H24F3NO.C23H25ClN2O2.C23H24F3N3O3.2C23H26F3N3O.C22H23F3N2OS/c25-24(26,27)20-10-12-21(13-11-20)29-17-5-15-28-16-14-18-6-3-4-9-22(18)23(28)19-7-1-2-8-19;1-18-8-10-22(11-9-18)28-17-21(27)16-26(14-19-5-4-12-25-13-19)15-20-6-2-3-7-23(20)24;1-16-5-3-4-6-17(16)13-29(22(31)21-27-11-12-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;2*1-18-6-3-4-7-19(18)16-29(17-22-27-12-14-28(22)2)13-5-15-30-21-10-8-20(9-11-21)23(24,25)26;1-17-5-2-3-6-18(17)14-27(15-21-13-26-16-29-21)11-4-12-28-20-9-7-19(8-10-20)22(23,24)25/h1-4,6-7,9-13,23H,5,8,14-17H2;2-13,21,27H,14-17H2,1H3;3-12,19,30H,13-15H2,1-2H3;2*3-4,6-12,14H,5,13,15-17H2,1-2H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3/i;14D2
• InChIKey: MCFPHAUPMCPVOL-XNUYFHBXSA-N
• XLogP: 30.65
• TPSA: 211.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 50
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.29
LogP ≤ 5	30.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The IUPAC name of 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 167618506) is 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The canonical SMILES for 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2C2=CC=CC2)cc1.[2H]C([2H])(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C)cc1.

What is the InChIKey of 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The InChIKey is MCFPHAUPMCPVOL-XNUYFHBXSA-N. The full InChI is InChI=1S/C24H24F3NO.C23H25ClN2O2.C23H24F3N3O3.2C23H26F3N3O.C22H23F3N2OS/c25-24(26,27)20-10-12-21(13-11-20)29-17-5-15-28-16-14-18-6-3-4-9-22(18)23(28)19-7-1-2-8-19;1-18-8-10-22(11-9-18)28-17-21(27)16-26(14-19-5-4-12-25-13-19)15-20-6-2-3-7-23(20)24;1-16-5-3-4-6-17(16)13-29(22(31)21-27-11-12-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;2*1-18-6-3-4-7-19(18)16-29(17-22-27-12-14-28(22)2)13-5-15-30-21-10-8-20(9-11-21)23(24,25)26;1-17-5-2-3-6-18(17)14-27(15-21-13-26-16-29-21)11-4-12-28-20-9-7-19(8-10-20)22(23,24)25/h1-4,6-7,9-13,23H,5,8,14-17H2;2-13,21,27H,14-17H2,1H3;3-12,19,30H,13-15H2,1-2H3;2*3-4,6-12,14H,5,13,15-17H2,1-2H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3/i;14D2;;;;.

What are the key properties of 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 2501.29 g/mol, XLogP of 30.65, 50 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 167618506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).