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

C13H12Cl2N2 — CID 29067539

IUPAC4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H12Cl2N2/c1-8-2-3-10(15)7-13(8)17-12-5-4-9(14)6-11(12)16/h2-7,17H,16H2,1H3
InChIKeyJYLVUILIORGYRH-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.63
Rot. Bonds2

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

4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine (PubChem CID 29067539) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
PubChem CID29067539
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H12Cl2N2/c1-8-2-3-10(15)7-13(8)17-12-5-4-9(14)6-11(12)16/h2-7,17H,16H2,1H3
InChIKeyJYLVUILIORGYRH-UHFFFAOYSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
1-N-(4-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 29066657
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
1-N-(5-chloro-2-methylphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine (CID 29067539) is 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine is Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine?
The InChIKey is JYLVUILIORGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-2-3-10(15)7-13(8)17-12-5-4-9(14)6-11(12)16/h2-7,17H,16H2,1H3.
What are the key properties of 4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine?
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine has a molecular weight of 267.16 g/mol, XLogP of 4.63, 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-(5-chloro-2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).