4-bromo-2-chloro-6-methylaniline

C7H7BrClN — CID 2769626

IUPAC4-bromo-2-chloro-6-methylaniline
SMILESCc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyDIXGIKZIIZRFKE-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.99
Rot. Bonds

About 4-bromo-2-chloro-6-methylaniline

4-bromo-2-chloro-6-methylaniline (PubChem CID 2769626) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-methylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-6-methylaniline
PubChem CID2769626
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name4-bromo-2-chloro-6-methylaniline
SMILESCc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyDIXGIKZIIZRFKE-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloro-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-methylaniline?
The IUPAC name of 4-bromo-2-chloro-6-methylaniline (CID 2769626) is 4-bromo-2-chloro-6-methylaniline.
What is the SMILES notation for 4-bromo-2-chloro-6-methylaniline?
The canonical SMILES for 4-bromo-2-chloro-6-methylaniline is Cc1cc(Br)cc(Cl)c1N.
What is the InChIKey of 4-bromo-2-chloro-6-methylaniline?
The InChIKey is DIXGIKZIIZRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3.
What are the key properties of 4-bromo-2-chloro-6-methylaniline?
4-bromo-2-chloro-6-methylaniline has a molecular weight of 220.50 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-methylaniline is sourced from PubChem (CID 2769626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).