N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one

C116H113Cl2F15N12O9S — CID 167534492

About N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one (PubChem CID 167534492) has the molecular formula C116H113Cl2F15N12O9S and a molecular weight of 2207.20 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one
• PubChem CID: 167534492
• Molecular Formula: C116H113Cl2F15N12O9S
• Molecular Weight: 2207.20 g/mol
• Exact Mass: 2204.76
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one
• SMILES: Cc1ccccc1CN(CC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.O=C(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2CC1c1cncs1
• InChI: InChI=1S/C26H29F3N2O.C24H21F3N2O3.C22H21ClF3N3O2.C22H23ClF3N3O.C22H19F3N2O2S/c1-20-7-4-5-9-22(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;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26;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)17-5-7-19(8-6-17)29-13-18(28)12-27-11-16-4-2-1-3-15(16)9-20(27)21-10-26-14-30-21/h4-15H,16-19H2,1-3H3;2-13H,14-16H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-8,10,14,20H,9,11-13H2
• InChIKey: AJXSYAJHHHODSJ-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 204.94 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.20
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	0
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 N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one (CID 167534492) is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one is Cc1ccccc1CN(CC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.O=C(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2CC1c1cncs1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one?

The InChIKey is AJXSYAJHHHODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O.C24H21F3N2O3.C22H21ClF3N3O2.C22H23ClF3N3O.C22H19F3N2O2S/c1-20-7-4-5-9-22(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;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26;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)17-5-7-19(8-6-17)29-13-18(28)12-27-11-16-4-2-1-3-15(16)9-20(27)21-10-26-14-30-21/h4-15H,16-19H2,1-3H3;2-13H,14-16H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-8,10,14,20H,9,11-13H2.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one?

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one has a molecular weight of 2207.20 g/mol, XLogP of 26.89, 40 rotatable bonds, 0 hydrogen bond donors, and 20 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;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;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;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one is sourced from PubChem (CID 167534492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).