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

C14H14F3N3 — CID 102717360

IUPAC6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)cc1
InChIInChI=1S/C14H14F3N3/c1-9-2-4-10(5-3-9)8-19-13-7-11(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyQKXALDKEHUUUEY-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.60
Rot. Bonds3

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

6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717360) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717360
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)cc1
InChIInChI=1S/C14H14F3N3/c1-9-2-4-10(5-3-9)8-19-13-7-11(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyQKXALDKEHUUUEY-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717360) is 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Cc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)cc1.
What is the InChIKey of 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QKXALDKEHUUUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-2-4-10(5-3-9)8-19-13-7-11(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20).
What are the key properties of 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 281.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).