6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C15H16F3N3 — CID 102717016

IUPAC6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)c1ccccc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)11-5-3-4-6-12(11)20-14-8-10(15(16,17)18)7-13(19)21-14/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyUDPQOJDUVHXSTR-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.55
Rot. Bonds3

About 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717016) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717016
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)c1ccccc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)11-5-3-4-6-12(11)20-14-8-10(15(16,17)18)7-13(19)21-14/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyUDPQOJDUVHXSTR-UHFFFAOYSA-N
XLogP4.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
5-N-(2-propan-2-ylphenyl)-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964640
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102718784
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930
6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261406

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717016) is 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CC(C)c1ccccc1Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is UDPQOJDUVHXSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9(2)11-5-3-4-6-12(11)20-14-8-10(15(16,17)18)7-13(19)21-14/h3-9H,1-2H3,(H3,19,20,21).
What are the key properties of 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 295.31 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).