3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

C11H15FN2O — CID 63712800

IUPAC3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1cccnc1NCC1CCOCC1
InChIInChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
InChIKeyRDLLIXJKRKAZRZ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.06
Rot. Bonds3

About 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 63712800) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID63712800
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1cccnc1NCC1CCOCC1
InChIInChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
InChIKeyRDLLIXJKRKAZRZ-UHFFFAOYSA-N
XLogP2.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 63712800) is 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is Fc1cccnc1NCC1CCOCC1.
What is the InChIKey of 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is RDLLIXJKRKAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14).
What are the key properties of 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 210.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63712800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).