6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine

C13H13FN2O — CID 82812009

IUPAC6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H13FN2O/c1-15-12-8-4-6-10(16-12)9-5-3-7-11(17-2)13(9)14/h3-8H,1-2H3,(H,15,16)
InChIKeyOPJMOFRYPNXEDY-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.94
Rot. Bonds3

About 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine

6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 82812009) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID82812009
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H13FN2O/c1-15-12-8-4-6-10(16-12)9-5-3-7-11(17-2)13(9)14/h3-8H,1-2H3,(H,15,16)
InChIKeyOPJMOFRYPNXEDY-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine (CID 82812009) is 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine is CNc1cccc(-c2cccc(OC)c2F)n1.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is OPJMOFRYPNXEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-15-12-8-4-6-10(16-12)9-5-3-7-11(17-2)13(9)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine?
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 82812009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).