N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole

C120H121ClF15N11O7S — CID 167621442

About N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole (PubChem CID 167621442) has the molecular formula C120H121ClF15N11O7S and a molecular weight of 2181.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole
• PubChem CID: 167621442
• Molecular Formula: C120H121ClF15N11O7S
• Molecular Weight: 2181.85 g/mol
• Exact Mass: 2179.86
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole
• SMILES: Cc1ccccc1CN(CC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cccnc1)CC1(COc2ccc(C(F)(F)F)cc2)CC1.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3CC2c2cncs2)cc1
• InChI: InChI=1S/C26H27F3N2O.C26H29F3N2O.C24H21F3N2O3.C22H23ClF3N3O.C22H21F3N2OS/c1-20-5-2-3-7-22(20)17-31(16-21-6-4-14-30-15-21)18-25(12-13-25)19-32-24-10-8-23(9-11-24)26(27,28)29;1-20-7-4-5-9-22(20)17-31(16-21-8-6-14-30-15-21)18-25(2,3)19-32-24-12-10-23(11-13-24)26(27,28)29;1-17-5-2-3-6-19(17)14-29(23(31)18-7-4-12-28-13-18)15-21(30)16-32-22-10-8-20(9-11-22)24(25,26)27;1-28-16-27-13-19(28)15-29(14-17-5-2-3-6-21(17)23)11-4-12-30-20-9-7-18(8-10-20)22(24,25)26;23-22(24,25)18-6-8-19(9-7-18)28-11-3-10-27-14-17-5-2-1-4-16(17)12-20(27)21-13-26-15-29-21/h2-11,14-15H,12-13,16-19H2,1H3;4-15H,16-19H2,1-3H3;2-13H,14-16H2,1H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-2,4-9,13,15,20H,3,10-12,14H2
• InChIKey: MMNDUTMKQBGCDB-UHFFFAOYSA-N
• XLogP: 28.78
• TPSA: 165.87 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.85
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole (CID 167621442) is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole is Cc1ccccc1CN(CC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cccnc1)CC1(COc2ccc(C(F)(F)F)cc2)CC1.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3CC2c2cncs2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole?

The InChIKey is MMNDUTMKQBGCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O.C26H29F3N2O.C24H21F3N2O3.C22H23ClF3N3O.C22H21F3N2OS/c1-20-5-2-3-7-22(20)17-31(16-21-6-4-14-30-15-21)18-25(12-13-25)19-32-24-10-8-23(9-11-24)26(27,28)29;1-20-7-4-5-9-22(20)17-31(16-21-8-6-14-30-15-21)18-25(2,3)19-32-24-12-10-23(11-13-24)26(27,28)29;1-17-5-2-3-6-19(17)14-29(23(31)18-7-4-12-28-13-18)15-21(30)16-32-22-10-8-20(9-11-22)24(25,26)27;1-28-16-27-13-19(28)15-29(14-17-5-2-3-6-21(17)23)11-4-12-30-20-9-7-18(8-10-20)22(24,25)26;23-22(24,25)18-6-8-19(9-7-18)28-11-3-10-27-14-17-5-2-1-4-16(17)12-20(27)21-13-26-15-29-21/h2-11,14-15H,12-13,16-19H2,1H3;4-15H,16-19H2,1-3H3;2-13H,14-16H2,1H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-2,4-9,13,15,20H,3,10-12,14H2.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole?

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole has a molecular weight of 2181.85 g/mol, XLogP of 28.78, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-thiazole is sourced from PubChem (CID 167621442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).