6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

C16H17F3N2 — CID 102716647

IUPAC6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H17F3N2/c1-4-20-15-9-13(16(17,18)19)8-14(21-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyLQKHJOSCMVBEDP-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.82
Rot. Bonds3

About 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716647) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716647
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H17F3N2/c1-4-20-15-9-13(16(17,18)19)8-14(21-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyLQKHJOSCMVBEDP-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
N-ethyl-6-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716835
6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716650
6-(3-fluorophenyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716586
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
6-(furan-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716707
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716637
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (CID 102716647) is 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(-c2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LQKHJOSCMVBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-4-20-15-9-13(16(17,18)19)8-14(21-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.32 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).