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

C15H16F3N3 — CID 106747324

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1ccccc1CN(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C15H16F3N3/c1-10-5-3-4-6-11(10)9-21(2)13-7-14(15(16,17)18)20-8-12(13)19/h3-8H,9,19H2,1-2H3
InChIKeyUWPQNYWBACWVFO-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.63
Rot. Bonds3

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

4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747324) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747324
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1ccccc1CN(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C15H16F3N3/c1-10-5-3-4-6-11(10)9-21(2)13-7-14(15(16,17)18)20-8-12(13)19/h3-8H,9,19H2,1-2H3
InChIKeyUWPQNYWBACWVFO-UHFFFAOYSA-N
XLogP3.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747324) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is Cc1ccccc1CN(C)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is UWPQNYWBACWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-5-3-4-6-11(10)9-21(2)13-7-14(15(16,17)18)20-8-12(13)19/h3-8H,9,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 295.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).