N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine

C15H15F3N2 — CID 102716549

IUPACN-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2ccccc2C)n1
InChIInChI=1S/C15H15F3N2/c1-3-19-14-9-11(15(16,17)18)8-13(20-14)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBOFGTWRPPFCQHT-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.51
Rot. Bonds3

About N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716549) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716549
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2ccccc2C)n1
InChIInChI=1S/C15H15F3N2/c1-3-19-14-9-11(15(16,17)18)8-13(20-14)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBOFGTWRPPFCQHT-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716549) is N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(-c2ccccc2C)n1.
What is the InChIKey of N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BOFGTWRPPFCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-3-19-14-9-11(15(16,17)18)8-13(20-14)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).