6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C14H14F3N3 — CID 102717119

IUPAC6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCc1ccccc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H14F3N3/c1-2-9-5-3-4-6-11(9)19-13-8-10(14(15,16)17)7-12(18)20-13/h3-8H,2H2,1H3,(H3,18,19,20)
InChIKeyFHIYEGVOPGMGSO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.99
Rot. Bonds3

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

6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717119) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717119
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCc1ccccc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H14F3N3/c1-2-9-5-3-4-6-11(9)19-13-8-10(14(15,16)17)7-12(18)20-13/h3-8H,2H2,1H3,(H3,18,19,20)
InChIKeyFHIYEGVOPGMGSO-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771302
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
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
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717119) is 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCc1ccccc1Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is FHIYEGVOPGMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-9-5-3-4-6-11(9)19-13-8-10(14(15,16)17)7-12(18)20-13/h3-8H,2H2,1H3,(H3,18,19,20).
What are the key properties of 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 281.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).