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

C13H17F3N2O2 — CID 102719728

IUPACN-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C13H17F3N2O2/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)20-8-10-4-3-5-19-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyIIKGRXPAIMLCSX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.09
Rot. Bonds5

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

N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719728) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719728
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C13H17F3N2O2/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)20-8-10-4-3-5-19-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyIIKGRXPAIMLCSX-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719728) is N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1.
What is the InChIKey of N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IIKGRXPAIMLCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)20-8-10-4-3-5-19-10/h6-7,10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).