2-fluoro-5-(2-methylphenyl)aniline

C13H12FN — CID 82076476

IUPAC2-fluoro-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H12FN/c1-9-4-2-3-5-11(9)10-6-7-12(14)13(15)8-10/h2-8H,15H2,1H3
InChIKeyZIRWLOMIDJYKHE-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.38
Rot. Bonds1

About 2-fluoro-5-(2-methylphenyl)aniline

2-fluoro-5-(2-methylphenyl)aniline (PubChem CID 82076476) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methylphenyl)aniline
PubChem CID82076476
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-fluoro-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H12FN/c1-9-4-2-3-5-11(9)10-6-7-12(14)13(15)8-10/h2-8H,15H2,1H3
InChIKeyZIRWLOMIDJYKHE-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 2-fluoro-5-(2-methylphenyl)aniline?
The IUPAC name of 2-fluoro-5-(2-methylphenyl)aniline (CID 82076476) is 2-fluoro-5-(2-methylphenyl)aniline.
What is the SMILES notation for 2-fluoro-5-(2-methylphenyl)aniline?
The canonical SMILES for 2-fluoro-5-(2-methylphenyl)aniline is Cc1ccccc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(2-methylphenyl)aniline?
The InChIKey is ZIRWLOMIDJYKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-9-4-2-3-5-11(9)10-6-7-12(14)13(15)8-10/h2-8H,15H2,1H3.
What are the key properties of 2-fluoro-5-(2-methylphenyl)aniline?
2-fluoro-5-(2-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 2-fluoro-5-(2-methylphenyl)aniline is sourced from PubChem (CID 82076476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).