2,6-dibromo-4-ethylaniline

C8H9Br2N — CID 14043928

IUPAC2,6-dibromo-4-ethylaniline
SMILESCCc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C8H9Br2N/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
InChIKeyCLDKMLUAQWPSSJ-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.36
Rot. Bonds1

About 2,6-dibromo-4-ethylaniline

2,6-dibromo-4-ethylaniline (PubChem CID 14043928) has the molecular formula C8H9Br2N and a molecular weight of 278.98 g/mol. Its IUPAC name is 2,6-dibromo-4-ethylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-ethylaniline
PubChem CID14043928
Molecular FormulaC8H9Br2N
Molecular Weight278.98 g/mol
Exact Mass276.91
IUPAC Name2,6-dibromo-4-ethylaniline
SMILESCCc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C8H9Br2N/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
InChIKeyCLDKMLUAQWPSSJ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dibromo-4-ethylaniline 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 2,6-dibromo-4-ethylaniline?
The IUPAC name of 2,6-dibromo-4-ethylaniline (CID 14043928) is 2,6-dibromo-4-ethylaniline.
What is the SMILES notation for 2,6-dibromo-4-ethylaniline?
The canonical SMILES for 2,6-dibromo-4-ethylaniline is CCc1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-ethylaniline?
The InChIKey is CLDKMLUAQWPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3.
What are the key properties of 2,6-dibromo-4-ethylaniline?
2,6-dibromo-4-ethylaniline has a molecular weight of 278.98 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-ethylaniline is sourced from PubChem (CID 14043928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).