4-(2-fluoro-3-methylphenyl)aniline

C13H12FN — CID 83394762

IUPAC4-(2-fluoro-3-methylphenyl)aniline
SMILESCc1cccc(-c2ccc(N)cc2)c1F
InChIInChI=1S/C13H12FN/c1-9-3-2-4-12(13(9)14)10-5-7-11(15)8-6-10/h2-8H,15H2,1H3
InChIKeyFWZQZIUZYIMOKY-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.38
Rot. Bonds1

About 4-(2-fluoro-3-methylphenyl)aniline

4-(2-fluoro-3-methylphenyl)aniline (PubChem CID 83394762) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)aniline
PubChem CID83394762
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name4-(2-fluoro-3-methylphenyl)aniline
SMILESCc1cccc(-c2ccc(N)cc2)c1F
InChIInChI=1S/C13H12FN/c1-9-3-2-4-12(13(9)14)10-5-7-11(15)8-6-10/h2-8H,15H2,1H3
InChIKeyFWZQZIUZYIMOKY-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)aniline?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)aniline (CID 83394762) is 4-(2-fluoro-3-methylphenyl)aniline.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)aniline?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)aniline is Cc1cccc(-c2ccc(N)cc2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)aniline?
The InChIKey is FWZQZIUZYIMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-9-3-2-4-12(13(9)14)10-5-7-11(15)8-6-10/h2-8H,15H2,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenyl)aniline?
4-(2-fluoro-3-methylphenyl)aniline has a molecular weight of 201.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)aniline is sourced from PubChem (CID 83394762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).