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

C14H19F3N2O2 — CID 102719729

IUPAC6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C14H19F3N2O2/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)21-9-11-4-3-6-20-11/h7-8,11H,2-6,9H2,1H3,(H,18,19)
InChIKeySDWSNPLFSBSDPS-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.48
Rot. Bonds6

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

6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719729) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719729
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C14H19F3N2O2/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)21-9-11-4-3-6-20-11/h7-8,11H,2-6,9H2,1H3,(H,18,19)
InChIKeySDWSNPLFSBSDPS-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102719729) is 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OCC2CCCO2)n1.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SDWSNPLFSBSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)21-9-11-4-3-6-20-11/h7-8,11H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).