5-bromo-4-chloro-2-ethylaniline

C8H9BrClN — CID 123680032

IUPAC5-bromo-4-chloro-2-ethylaniline
SMILESCCc1cc(Cl)c(Br)cc1N
InChIInChI=1S/C8H9BrClN/c1-2-5-3-7(10)6(9)4-8(5)11/h3-4H,2,11H2,1H3
InChIKeyAQENALINNNJGKP-UHFFFAOYSA-N
MW234.52 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-4-chloro-2-ethylaniline

5-bromo-4-chloro-2-ethylaniline (PubChem CID 123680032) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethylaniline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethylaniline
PubChem CID123680032
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name5-bromo-4-chloro-2-ethylaniline
SMILESCCc1cc(Cl)c(Br)cc1N
InChIInChI=1S/C8H9BrClN/c1-2-5-3-7(10)6(9)4-8(5)11/h3-4H,2,11H2,1H3
InChIKeyAQENALINNNJGKP-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloro-2-ethylaniline 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

4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline
CID 66658670
1-(5-amino-2-chloro-4-ethylphenyl)ethanone
CID 131312926
4-chloro-5-(2-chlorophenyl)-2-ethylaniline
CID 90462567
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
1-(2-amino-4-bromo-5-chlorophenyl)-2-bromoethanone
CID 171011811
lithium;alumane;2-amino-5-bromo-4-chlorobenzoic acid;(2-amino-5-bromo-4-chlorophenyl)methanol;hydride
CID 158252681
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
5-bromo-2-chloro-6-ethylpyridin-3-amine
CID 105497051
2-(5-amino-2-chloro-4-ethylphenyl)sulfanylacetonitrile
CID 91881699
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethylaniline?
The IUPAC name of 5-bromo-4-chloro-2-ethylaniline (CID 123680032) is 5-bromo-4-chloro-2-ethylaniline.
What is the SMILES notation for 5-bromo-4-chloro-2-ethylaniline?
The canonical SMILES for 5-bromo-4-chloro-2-ethylaniline is CCc1cc(Cl)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-chloro-2-ethylaniline?
The InChIKey is AQENALINNNJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-2-5-3-7(10)6(9)4-8(5)11/h3-4H,2,11H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethylaniline?
5-bromo-4-chloro-2-ethylaniline has a molecular weight of 234.52 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethylaniline is sourced from PubChem (CID 123680032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).