2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine

C13H12Br2N2 — CID 115550238

IUPAC2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H12Br2N2/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7,17H,16H2,1H3
InChIKeyCXHLUFNOJCERBK-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.85
Rot. Bonds2

About 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine

2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550238) has the molecular formula C13H12Br2N2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
PubChem CID115550238
Molecular FormulaC13H12Br2N2
Molecular Weight356.06 g/mol
Exact Mass353.94
IUPAC Name2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H12Br2N2/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7,17H,16H2,1H3
InChIKeyCXHLUFNOJCERBK-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(2,5-dibromophenyl)-3-methylbenzene-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

2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 112740455
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
ethyl 3-amino-2-(5-bromo-2-methylanilino)benzoate
CID 115934212
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930
2-N-(2,5-dibromophenyl)-1,3-benzoxazole-2,4-diamine
CID 79893555
4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
CID 65467148
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine (CID 115550238) is 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is CXHLUFNOJCERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine?
2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 356.06 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).