N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine

C106H107ClF16N14O5S2 — CID 167597218

About N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine

N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine (PubChem CID 167597218) has the molecular formula C106H107ClF16N14O5S2 and a molecular weight of 2060.67 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine
• PubChem CID: 167597218
• Molecular Formula: C106H107ClF16N14O5S2
• Molecular Weight: 2060.67 g/mol
• Exact Mass: 2058.74
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine
• SMILES: Cc1ccccc1CN(CCCOc1cnc(C(F)(F)F)nc1)Cc1cccnc1.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1
• InChI: InChI=1S/C22H23F3N4O.2C22H24F3N3O.C20H18ClF3N2OS.C20H18F4N2OS/c1-17-6-2-3-8-19(17)16-29(15-18-7-4-9-26-12-18)10-5-11-30-20-13-27-21(28-14-20)22(23,24)25;1-17-5-3-4-6-18(17)14-28(15-20-13-26-16-27(20)2)11-12-29-21-9-7-19(8-10-21)22(23,24)25;1-17-5-3-4-6-18(17)15-28(16-21-26-11-12-27(21)2)13-14-29-20-9-7-19(8-10-20)22(23,24)25;2*21-19-4-2-1-3-15(19)12-26(13-18-11-25-14-28-18)9-10-27-17-7-5-16(6-8-17)20(22,23)24/h2-4,6-9,12-14H,5,10-11,15-16H2,1H3;3-10,13,16H,11-12,14-15H2,1-2H3;3-12H,13-16H2,1-2H3;2*1-8,11,14H,9-10,12-13H2
• InChIKey: JFWKCAJOHOGFBI-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 162.44 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.67
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine (CID 167597218) is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine is Cc1ccccc1CN(CCCOc1cnc(C(F)(F)F)nc1)Cc1cccnc1.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The InChIKey is JFWKCAJOHOGFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O.2C22H24F3N3O.C20H18ClF3N2OS.C20H18F4N2OS/c1-17-6-2-3-8-19(17)16-29(15-18-7-4-9-26-12-18)10-5-11-30-20-13-27-21(28-14-20)22(23,24)25;1-17-5-3-4-6-18(17)14-28(15-20-13-26-16-27(20)2)11-12-29-21-9-7-19(8-10-21)22(23,24)25;1-17-5-3-4-6-18(17)15-28(16-21-26-11-12-27(21)2)13-14-29-20-9-7-19(8-10-20)22(23,24)25;2*21-19-4-2-1-3-15(19)12-26(13-18-11-25-14-28-18)9-10-27-17-7-5-16(6-8-17)20(22,23)24/h2-4,6-9,12-14H,5,10-11,15-16H2,1H3;3-10,13,16H,11-12,14-15H2,1-2H3;3-12H,13-16H2,1-2H3;2*1-8,11,14H,9-10,12-13H2.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine has a molecular weight of 2060.67 g/mol, XLogP of 25.61, 41 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine is sourced from PubChem (CID 167597218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).