3,5-dibromo-4-methylaniline

C7H7Br2N — CID 7015779

IUPAC3,5-dibromo-4-methylaniline
SMILESCc1c(Br)cc(N)cc1Br
InChIInChI=1S/C7H7Br2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKeyAQZDIKCNODUMNY-UHFFFAOYSA-N
MW264.95 g/mol
LogP3.10
Rot. Bonds

About 3,5-dibromo-4-methylaniline

3,5-dibromo-4-methylaniline (PubChem CID 7015779) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 3,5-dibromo-4-methylaniline.

Molecular Properties

Compound Name3,5-dibromo-4-methylaniline
PubChem CID7015779
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name3,5-dibromo-4-methylaniline
SMILESCc1c(Br)cc(N)cc1Br
InChIInChI=1S/C7H7Br2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKeyAQZDIKCNODUMNY-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-4-methylaniline 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

Benzenamine, 3-bromo-4-methyl-
CID 82187
2-Bromo-4-methylaniline
CID 11422
3-Bromo-o-toluidine
CID 123538
4-Amino-2-bromobenzonitrile
CID 824602
3-Bromo-5-methylaniline
CID 3018526
4-Bromo-2-fluoro-5-methylaniline
CID 7018040
4-Bromo-3-methylaniline
CID 23359
2,6-Dibromo-p-toluidine
CID 81427
3,5-Dibromoaniline
CID 221512
2-Bromo-3-methylaniline
CID 603781
5-Bromo-o-toluidine
CID 2734805
2,6-Dibromo-2',6'-dimethylbiphenyl-4,4'-diamine
CID 238710

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-methylaniline?
The IUPAC name of 3,5-dibromo-4-methylaniline (CID 7015779) is 3,5-dibromo-4-methylaniline.
What is the SMILES notation for 3,5-dibromo-4-methylaniline?
The canonical SMILES for 3,5-dibromo-4-methylaniline is Cc1c(Br)cc(N)cc1Br.
What is the InChIKey of 3,5-dibromo-4-methylaniline?
The InChIKey is AQZDIKCNODUMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3.
What are the key properties of 3,5-dibromo-4-methylaniline?
3,5-dibromo-4-methylaniline has a molecular weight of 264.95 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-methylaniline is sourced from PubChem (CID 7015779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).