6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine

C13H17F3N2O2 — CID 102720096

IUPAC6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(Oc2cc(C(F)(F)F)cc(N)n2)CC(C)O1
InChIInChI=1S/C13H17F3N2O2/c1-7-3-10(4-8(2)19-7)20-12-6-9(13(14,15)16)5-11(17)18-12/h5-8,10H,3-4H2,1-2H3,(H2,17,18)
InChIKeyLVKFDNOYUQETLV-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.02
Rot. Bonds2

About 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine

6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720096) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720096
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(Oc2cc(C(F)(F)F)cc(N)n2)CC(C)O1
InChIInChI=1S/C13H17F3N2O2/c1-7-3-10(4-8(2)19-7)20-12-6-9(13(14,15)16)5-11(17)18-12/h5-8,10H,3-4H2,1-2H3,(H2,17,18)
InChIKeyLVKFDNOYUQETLV-UHFFFAOYSA-N
XLogP3.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine (CID 102720096) is 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine is CC1CC(Oc2cc(C(F)(F)F)cc(N)n2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LVKFDNOYUQETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-7-3-10(4-8(2)19-7)20-12-6-9(13(14,15)16)5-11(17)18-12/h5-8,10H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).