N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O2 — CID 102719983

IUPACN-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OC(C)COC)n1
InChIInChI=1S/C12H17F3N2O2/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)19-8(2)7-18-3/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyQZDMYCGEKRQMRZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719983) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719983
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OC(C)COC)n1
InChIInChI=1S/C12H17F3N2O2/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)19-8(2)7-18-3/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyQZDMYCGEKRQMRZ-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methoxypropan-2-yloxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719982
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719878
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719983) is N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OC(C)COC)n1.
What is the InChIKey of N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QZDMYCGEKRQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)19-8(2)7-18-3/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).