6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

C46H45Br3F6N4O4 — CID 163841925

About 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (PubChem CID 163841925) has the molecular formula C46H45Br3F6N4O4 and a molecular weight of 1071.59 g/mol. Its IUPAC name is 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.

Molecular Properties

• Compound Name: 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
• PubChem CID: 163841925
• Molecular Formula: C46H45Br3F6N4O4
• Molecular Weight: 1071.59 g/mol
• Exact Mass: 1068.09
• IUPAC Name: 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Br)n2)cc1.COc1ccc(CNCc2ccc(OC)cc2)cc1.Cc1cc(Br)nc(Br)c1C(F)(F)F
• InChI: InChI=1S/C23H22BrF3N2O2.C16H19NO2.C7H4Br2F3N/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;1-3-2-4(8)13-6(9)5(3)7(10,11)12/h4-12H,13-14H2,1-3H3;3-10,17H,11-12H2,1-2H3;2H,1H3
• InChIKey: OMTFXAHQMHBRND-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 77.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.59
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?

The IUPAC name of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (CID 163841925) is 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.

What is the SMILES notation for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?

The canonical SMILES for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Br)n2)cc1.COc1ccc(CNCc2ccc(OC)cc2)cc1.Cc1cc(Br)nc(Br)c1C(F)(F)F.

What is the InChIKey of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?

The InChIKey is OMTFXAHQMHBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF3N2O2.C16H19NO2.C7H4Br2F3N/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;1-3-2-4(8)13-6(9)5(3)7(10,11)12/h4-12H,13-14H2,1-3H3;3-10,17H,11-12H2,1-2H3;2H,1H3.

What are the key properties of 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?

6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine has a molecular weight of 1071.59 g/mol, XLogP of 13.32, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,6-dibromo-4-methyl-3-(trifluoromethyl)pyridine;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 163841925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).