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

C16H17F3N2 — CID 102716650

IUPAC6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2cccc(C)c2C)n1
InChIInChI=1S/C16H17F3N2/c1-4-20-15-9-12(16(17,18)19)8-14(21-15)13-7-5-6-10(2)11(13)3/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyVQUJTAOAAXYUHZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.82
Rot. Bonds3

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

6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716650) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716650
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(-c2cccc(C)c2C)n1
InChIInChI=1S/C16H17F3N2/c1-4-20-15-9-12(16(17,18)19)8-14(21-15)13-7-5-6-10(2)11(13)3/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyVQUJTAOAAXYUHZ-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

N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716647
6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853
N-ethyl-6-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716835
6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63480321
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 90189616
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768869
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (CID 102716650) is 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(-c2cccc(C)c2C)n1.
What is the InChIKey of 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VQUJTAOAAXYUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-4-20-15-9-12(16(17,18)19)8-14(21-15)13-7-5-6-10(2)11(13)3/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 6-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2,3-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-(2,3-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).