4-chloro-2-methyl-N-(2-methylphenyl)aniline

C14H14ClN — CID 3049247

IUPAC4-chloro-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H14ClN/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9,16H,1-2H3
InChIKeyMMFQRYSDRBWYMJ-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.70
Rot. Bonds2

About 4-chloro-2-methyl-N-(2-methylphenyl)aniline

4-chloro-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 3049247) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(2-methylphenyl)aniline
PubChem CID3049247
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-chloro-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H14ClN/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9,16H,1-2H3
InChIKeyMMFQRYSDRBWYMJ-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-methyl-N-(2-methylphenyl)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-chloro-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(2-methylphenyl)aniline (CID 3049247) is 4-chloro-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1Nc1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is MMFQRYSDRBWYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9,16H,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-(2-methylphenyl)aniline?
4-chloro-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 231.73 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 3049247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).