4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine

C14H15ClN2 — CID 29067167

IUPAC4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H15ClN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyMIHIFEXLSMHVEQ-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine

4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine (PubChem CID 29067167) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
PubChem CID29067167
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H15ClN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyMIHIFEXLSMHVEQ-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine 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-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
CID 43449178
1-N-(4-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 29066657
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine (CID 29067167) is 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine is Cc1ccc(C)c(Nc2ccc(Cl)cc2N)c1.
What is the InChIKey of 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is MIHIFEXLSMHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine?
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).