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

C13H12FNO — CID 62377841

IUPAC4-fluoro-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(F)ccc2N)c1
InChIInChI=1S/C13H12FNO/c1-9-3-2-4-11(7-9)16-13-8-10(14)5-6-12(13)15/h2-8H,15H2,1H3
InChIKeyLJUNXRPXUZFHPH-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.51
Rot. Bonds2

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

4-fluoro-2-(3-methylphenoxy)aniline (PubChem CID 62377841) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylphenoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(3-methylphenoxy)aniline
PubChem CID62377841
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-fluoro-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(F)ccc2N)c1
InChIInChI=1S/C13H12FNO/c1-9-3-2-4-11(7-9)16-13-8-10(14)5-6-12(13)15/h2-8H,15H2,1H3
InChIKeyLJUNXRPXUZFHPH-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(3-methylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylphenoxy)aniline?
The IUPAC name of 4-fluoro-2-(3-methylphenoxy)aniline (CID 62377841) is 4-fluoro-2-(3-methylphenoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(3-methylphenoxy)aniline?
The canonical SMILES for 4-fluoro-2-(3-methylphenoxy)aniline is Cc1cccc(Oc2cc(F)ccc2N)c1.
What is the InChIKey of 4-fluoro-2-(3-methylphenoxy)aniline?
The InChIKey is LJUNXRPXUZFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-3-2-4-11(7-9)16-13-8-10(14)5-6-12(13)15/h2-8H,15H2,1H3.
What are the key properties of 4-fluoro-2-(3-methylphenoxy)aniline?
4-fluoro-2-(3-methylphenoxy)aniline has a molecular weight of 217.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylphenoxy)aniline is sourced from PubChem (CID 62377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).