3-chloro-4-fluoro-N-(2-methylpropyl)aniline

C10H13ClFN — CID 28938369

IUPAC3-chloro-4-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyLRTQWWFHBXLCSZ-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-4-fluoro-N-(2-methylpropyl)aniline

3-chloro-4-fluoro-N-(2-methylpropyl)aniline (PubChem CID 28938369) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-methylpropyl)aniline
PubChem CID28938369
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-chloro-4-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyLRTQWWFHBXLCSZ-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-fluoro-N-(2-methylpropyl)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 3-chloro-4-fluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 3-chloro-4-fluoro-N-(2-methylpropyl)aniline (CID 28938369) is 3-chloro-4-fluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-methylpropyl)aniline?
The InChIKey is LRTQWWFHBXLCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-N-(2-methylpropyl)aniline?
3-chloro-4-fluoro-N-(2-methylpropyl)aniline has a molecular weight of 201.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 28938369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).