N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O — CID 102719643

IUPACN-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OC(C)(C)C)n1
InChIInChI=1S/C12H17F3N2O/c1-5-16-9-6-8(12(13,14)15)7-10(17-9)18-11(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyPYQAUAADJYJYKJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.71
Rot. Bonds3

About N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719643) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719643
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OC(C)(C)C)n1
InChIInChI=1S/C12H17F3N2O/c1-5-16-9-6-8(12(13,14)15)7-10(17-9)18-11(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyPYQAUAADJYJYKJ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719878
N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719983
N-ethyl-6-(2-methylcyclohexyl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719705
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717403
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
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 N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (CID 102719643) is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OC(C)(C)C)n1.
What is the InChIKey of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PYQAUAADJYJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-5-16-9-6-8(12(13,14)15)7-10(17-9)18-11(2,3)4/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).