4-(2-aminophenyl)-3-fluoroaniline

C12H11FN2 — CID 68788831

IUPAC4-(2-aminophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2ccccc2N)c(F)c1
InChIInChI=1S/C12H11FN2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15/h1-7H,14-15H2
InChIKeyCXQMKLQUTZVXGV-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.66
Rot. Bonds1

About 4-(2-aminophenyl)-3-fluoroaniline

4-(2-aminophenyl)-3-fluoroaniline (PubChem CID 68788831) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-(2-aminophenyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminophenyl)-3-fluoroaniline
PubChem CID68788831
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-(2-aminophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2ccccc2N)c(F)c1
InChIInChI=1S/C12H11FN2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15/h1-7H,14-15H2
InChIKeyCXQMKLQUTZVXGV-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-aminophenyl)-3-fluoroaniline 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

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
2-Aminobiphenyl
CID 7015
1,5-Diaminonaphthalene
CID 16720
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
4-Isopropylaniline
CID 7464
2-Ethylaniline
CID 11357
3,3',5,5'-Tetramethylbenzidine
CID 41206
4,4'-Methylenedianiline dihydrochloride
CID 26108

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-3-fluoroaniline?
The IUPAC name of 4-(2-aminophenyl)-3-fluoroaniline (CID 68788831) is 4-(2-aminophenyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-aminophenyl)-3-fluoroaniline?
The canonical SMILES for 4-(2-aminophenyl)-3-fluoroaniline is Nc1ccc(-c2ccccc2N)c(F)c1.
What is the InChIKey of 4-(2-aminophenyl)-3-fluoroaniline?
The InChIKey is CXQMKLQUTZVXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15/h1-7H,14-15H2.
What are the key properties of 4-(2-aminophenyl)-3-fluoroaniline?
4-(2-aminophenyl)-3-fluoroaniline has a molecular weight of 202.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-3-fluoroaniline is sourced from PubChem (CID 68788831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).