5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine

C14H15FN2 — CID 134417245

IUPAC5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCNc1ncc(-c2ccc(F)cc2C)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-12(15)4-5-13(9)11-6-10(2)14(16-3)17-8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyDVSXLIMXXOCTDB-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.55
Rot. Bonds2

About 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine

5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine (PubChem CID 134417245) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine
PubChem CID134417245
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCNc1ncc(-c2ccc(F)cc2C)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-12(15)4-5-13(9)11-6-10(2)14(16-3)17-8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyDVSXLIMXXOCTDB-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine (CID 134417245) is 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine is CNc1ncc(-c2ccc(F)cc2C)cc1C.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is DVSXLIMXXOCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-7-12(15)4-5-13(9)11-6-10(2)14(16-3)17-8-11/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine?
5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 134417245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).