4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C14H13BrF3N3 — CID 106747402

IUPAC4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccccc1Br)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H13BrF3N3/c1-21(8-9-4-2-3-5-10(9)15)12-6-13(14(16,17)18)20-7-11(12)19/h2-7H,8,19H2,1H3
InChIKeyCRPKDIFIPGZFDO-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.08
Rot. Bonds3

About 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747402) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747402
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccccc1Br)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H13BrF3N3/c1-21(8-9-4-2-3-5-10(9)15)12-6-13(14(16,17)18)20-7-11(12)19/h2-7H,8,19H2,1H3
InChIKeyCRPKDIFIPGZFDO-UHFFFAOYSA-N
XLogP4.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747297
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747394
N-[(2-aminophenyl)methyl]-2-bromo-N-methyl-4-(trifluoromethyl)aniline
CID 115511992
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747402) is 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CN(Cc1ccccc1Br)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is CRPKDIFIPGZFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-21(8-9-4-2-3-5-10(9)15)12-6-13(14(16,17)18)20-7-11(12)19/h2-7H,8,19H2,1H3.
What are the key properties of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 360.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).