1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine

C13H13BrN2 — CID 43349512

IUPAC1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2Br)c(N)c1
InChIInChI=1S/C13H13BrN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyDVSSCIFXSZHYLZ-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.08
Rot. Bonds2

About 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine

1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine (PubChem CID 43349512) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
PubChem CID43349512
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2Br)c(N)c1
InChIInChI=1S/C13H13BrN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyDVSSCIFXSZHYLZ-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(2-bromophenyl)-4-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-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
1-N-(2-bromo-4-methylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448020
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide
CID 43449185
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
4-methyl-1-N-(2-nitrophenyl)benzene-1,2-diamine
CID 89316368
4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
CID 114264058
1-N-(4-bromo-3-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 107618565
1-N-(2-bromo-5-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 82761474

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine (CID 43349512) is 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine is Cc1ccc(Nc2ccccc2Br)c(N)c1.
What is the InChIKey of 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is DVSSCIFXSZHYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine?
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine has a molecular weight of 277.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43349512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).