6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine

C14H14F2N2 — CID 55140098

IUPAC6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1F)N(C)c1cccc(F)n1
InChIInChI=1S/C14H14F2N2/c1-10(11-6-3-4-7-12(11)15)18(2)14-9-5-8-13(16)17-14/h3-10H,1-2H3
InChIKeyRGWCXXJVTWGQQV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.56
Rot. Bonds3

About 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine

6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 55140098) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID55140098
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1F)N(C)c1cccc(F)n1
InChIInChI=1S/C14H14F2N2/c1-10(11-6-3-4-7-12(11)15)18(2)14-9-5-8-13(16)17-14/h3-10H,1-2H3
InChIKeyRGWCXXJVTWGQQV-UHFFFAOYSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine (CID 55140098) is 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine is CC(c1ccccc1F)N(C)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is RGWCXXJVTWGQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10(11-6-3-4-7-12(11)15)18(2)14-9-5-8-13(16)17-14/h3-10H,1-2H3.
What are the key properties of 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 248.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55140098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).