6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine

C13H12F2N2O — CID 67254879

IUPAC6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine
SMILESCC(Oc1ccc(F)cc1F)c1cccc(N)n1
InChIInChI=1S/C13H12F2N2O/c1-8(11-3-2-4-13(16)17-11)18-12-6-5-9(14)7-10(12)15/h2-8H,1H3,(H2,16,17)
InChIKeyZBXDKCNZTBGONM-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.08
Rot. Bonds3

About 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine

6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine (PubChem CID 67254879) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine
PubChem CID67254879
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine
SMILESCC(Oc1ccc(F)cc1F)c1cccc(N)n1
InChIInChI=1S/C13H12F2N2O/c1-8(11-3-2-4-13(16)17-11)18-12-6-5-9(14)7-10(12)15/h2-8H,1H3,(H2,16,17)
InChIKeyZBXDKCNZTBGONM-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine?
The IUPAC name of 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine (CID 67254879) is 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine is CC(Oc1ccc(F)cc1F)c1cccc(N)n1.
What is the InChIKey of 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine?
The InChIKey is ZBXDKCNZTBGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8(11-3-2-4-13(16)17-11)18-12-6-5-9(14)7-10(12)15/h2-8H,1H3,(H2,16,17).
What are the key properties of 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine?
6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-difluorophenoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 67254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).