2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine

C16H17F3N2O — CID 142189252

IUPAC2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(C)cc1N
InChIInChI=1S/C16H17F3N2O/c1-4-14-13(20)8-10(3)15(21-14)12-6-5-11(7-9(12)2)22-16(17,18)19/h5-8H,4,20H2,1-3H3
InChIKeyMIMLKCBOVCOFGT-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.41
Rot. Bonds3

About 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine

2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine (PubChem CID 142189252) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
PubChem CID142189252
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(C)cc1N
InChIInChI=1S/C16H17F3N2O/c1-4-14-13(20)8-10(3)15(21-14)12-6-5-11(7-9(12)2)22-16(17,18)19/h5-8H,4,20H2,1-3H3
InChIKeyMIMLKCBOVCOFGT-UHFFFAOYSA-N
XLogP4.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804486
5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
CID 69228001
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
2-(1-ethylsulfonylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391063
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine (CID 142189252) is 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine is CCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(C)cc1N.
What is the InChIKey of 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The InChIKey is MIMLKCBOVCOFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-4-14-13(20)8-10(3)15(21-14)12-6-5-11(7-9(12)2)22-16(17,18)19/h5-8H,4,20H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine?
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine has a molecular weight of 310.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 142189252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).