N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H15F3N2O2 — CID 102719727

IUPACN-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C12H15F3N2O2/c1-16-10-5-8(12(13,14)15)6-11(17-10)19-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)
InChIKeyOEQJUFVKKLJUPW-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719727) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719727
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C12H15F3N2O2/c1-16-10-5-8(12(13,14)15)6-11(17-10)19-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)
InChIKeyOEQJUFVKKLJUPW-UHFFFAOYSA-N
XLogP2.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
CID 21330006
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720007
N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719988
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
1-[(1-ethylpyrazol-4-yl)methyl]-4,5-dimethyl-3-[6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]imidazol-2-one
CID 169318813
6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80966071
[6-(oxolan-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 80911477
4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
CID 80544680
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719727) is N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1.
What is the InChIKey of N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OEQJUFVKKLJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-16-10-5-8(12(13,14)15)6-11(17-10)19-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17).
What are the key properties of N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).