4-(3-chloro-5-fluorophenyl)-2-methylaniline

C13H11ClFN — CID 115504609

IUPAC4-(3-chloro-5-fluorophenyl)-2-methylaniline
SMILESCc1cc(-c2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C13H11ClFN/c1-8-4-9(2-3-13(8)16)10-5-11(14)7-12(15)6-10/h2-7H,16H2,1H3
InChIKeyYMWKHPBCTLOIHK-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)-2-methylaniline

4-(3-chloro-5-fluorophenyl)-2-methylaniline (PubChem CID 115504609) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-2-methylaniline
PubChem CID115504609
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name4-(3-chloro-5-fluorophenyl)-2-methylaniline
SMILESCc1cc(-c2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C13H11ClFN/c1-8-4-9(2-3-13(8)16)10-5-11(14)7-12(15)6-10/h2-7H,16H2,1H3
InChIKeyYMWKHPBCTLOIHK-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-5-fluorophenyl)-2-methylaniline 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

2-chloro-4-(3-chloro-5-fluorophenyl)aniline
CID 107607732
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
CID 172876806
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-methylaniline?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-methylaniline (CID 115504609) is 4-(3-chloro-5-fluorophenyl)-2-methylaniline.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-2-methylaniline?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-2-methylaniline is Cc1cc(-c2cc(F)cc(Cl)c2)ccc1N.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-2-methylaniline?
The InChIKey is YMWKHPBCTLOIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-4-9(2-3-13(8)16)10-5-11(14)7-12(15)6-10/h2-7H,16H2,1H3.
What are the key properties of 4-(3-chloro-5-fluorophenyl)-2-methylaniline?
4-(3-chloro-5-fluorophenyl)-2-methylaniline has a molecular weight of 235.69 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-2-methylaniline is sourced from PubChem (CID 115504609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).