4-fluoro-2-(4-methoxyphenyl)aniline

C13H12FNO — CID 61025201

IUPAC4-fluoro-2-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C13H12FNO/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,15H2,1H3
InChIKeyLKJREZZQAUKZHN-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.08
Rot. Bonds2

About 4-fluoro-2-(4-methoxyphenyl)aniline

4-fluoro-2-(4-methoxyphenyl)aniline (PubChem CID 61025201) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-fluoro-2-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(4-methoxyphenyl)aniline
PubChem CID61025201
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-fluoro-2-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C13H12FNO/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,15H2,1H3
InChIKeyLKJREZZQAUKZHN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(4-methoxyphenyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

Dianisidine
CID 8411
2-Methyl-4-methoxyaniline
CID 7610
4-(2-Phenylethoxy)aniline
CID 3026856
4-(p-Tolyloxy)aniline
CID 94519
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
4-(4-Tert-butylphenoxy)aniline
CID 82498
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
Aniline, p-(3-phenylpropoxy)-
CID 42154
4-Amino-3'-methoxystilbene
CID 6440384
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methoxyphenyl)aniline?
The IUPAC name of 4-fluoro-2-(4-methoxyphenyl)aniline (CID 61025201) is 4-fluoro-2-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-fluoro-2-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-fluoro-2-(4-methoxyphenyl)aniline is COc1ccc(-c2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-(4-methoxyphenyl)aniline?
The InChIKey is LKJREZZQAUKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,15H2,1H3.
What are the key properties of 4-fluoro-2-(4-methoxyphenyl)aniline?
4-fluoro-2-(4-methoxyphenyl)aniline has a molecular weight of 217.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methoxyphenyl)aniline is sourced from PubChem (CID 61025201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).