2-(2-fluorophenyl)-4-methylaniline

C13H12FN — CID 62492091

IUPAC2-(2-fluorophenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccccc2F)c1
InChIInChI=1S/C13H12FN/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14/h2-8H,15H2,1H3
InChIKeyOHOJTBGREFVWOG-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.38
Rot. Bonds1

About 2-(2-fluorophenyl)-4-methylaniline

2-(2-fluorophenyl)-4-methylaniline (PubChem CID 62492091) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methylaniline
PubChem CID62492091
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-(2-fluorophenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2ccccc2F)c1
InChIInChI=1S/C13H12FN/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14/h2-8H,15H2,1H3
InChIKeyOHOJTBGREFVWOG-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-(2-fluorophenyl)-4-methylaniline?
The IUPAC name of 2-(2-fluorophenyl)-4-methylaniline (CID 62492091) is 2-(2-fluorophenyl)-4-methylaniline.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methylaniline?
The canonical SMILES for 2-(2-fluorophenyl)-4-methylaniline is Cc1ccc(N)c(-c2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-4-methylaniline?
The InChIKey is OHOJTBGREFVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14/h2-8H,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methylaniline?
2-(2-fluorophenyl)-4-methylaniline 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-(2-fluorophenyl)-4-methylaniline is sourced from PubChem (CID 62492091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).