4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C15H16F3N3 — CID 106747622

IUPAC4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1ccc(N(C)c2cc(C(F)(F)F)ncc2N)c(C)c1
InChIInChI=1S/C15H16F3N3/c1-9-4-5-12(10(2)6-9)21(3)13-7-14(15(16,17)18)20-8-11(13)19/h4-8H,19H2,1-3H3
InChIKeyDAZMLZIBISOAHY-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.07
Rot. Bonds2

About 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747622) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747622
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1ccc(N(C)c2cc(C(F)(F)F)ncc2N)c(C)c1
InChIInChI=1S/C15H16F3N3/c1-9-4-5-12(10(2)6-9)21(3)13-7-14(15(16,17)18)20-8-11(13)19/h4-8H,19H2,1-3H3
InChIKeyDAZMLZIBISOAHY-UHFFFAOYSA-N
XLogP4.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747622) is 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is Cc1ccc(N(C)c2cc(C(F)(F)F)ncc2N)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is DAZMLZIBISOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-4-5-12(10(2)6-9)21(3)13-7-14(15(16,17)18)20-8-11(13)19/h4-8H,19H2,1-3H3.
What are the key properties of 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 295.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).