3-bromo-5-chloro-2,4-dimethylaniline

C8H9BrClN — CID 84797130

IUPAC3-bromo-5-chloro-2,4-dimethylaniline
SMILESCc1c(N)cc(Cl)c(C)c1Br
InChIInChI=1S/C8H9BrClN/c1-4-6(10)3-7(11)5(2)8(4)9/h3H,11H2,1-2H3
InChIKeyUFRRVVXGVCXGRG-UHFFFAOYSA-N
MW234.52 g/mol
LogP3.30
Rot. Bonds

About 3-bromo-5-chloro-2,4-dimethylaniline

3-bromo-5-chloro-2,4-dimethylaniline (PubChem CID 84797130) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 3-bromo-5-chloro-2,4-dimethylaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2,4-dimethylaniline
PubChem CID84797130
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name3-bromo-5-chloro-2,4-dimethylaniline
SMILESCc1c(N)cc(Cl)c(C)c1Br
InChIInChI=1S/C8H9BrClN/c1-4-6(10)3-7(11)5(2)8(4)9/h3H,11H2,1-2H3
InChIKeyUFRRVVXGVCXGRG-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
CID 14178169
1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
CID 84807110
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
2,4-dibromo-3,5-dichloroaniline
CID 26599169
3-bromo-4,5-dichlorobenzene-1,2-diamine
CID 10848635
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-2-methylpropanenitrile
CID 84813865
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
5-amino-2-bromo-3,6-dimethylphenol
CID 84784556

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2,4-dimethylaniline?
The IUPAC name of 3-bromo-5-chloro-2,4-dimethylaniline (CID 84797130) is 3-bromo-5-chloro-2,4-dimethylaniline.
What is the SMILES notation for 3-bromo-5-chloro-2,4-dimethylaniline?
The canonical SMILES for 3-bromo-5-chloro-2,4-dimethylaniline is Cc1c(N)cc(Cl)c(C)c1Br.
What is the InChIKey of 3-bromo-5-chloro-2,4-dimethylaniline?
The InChIKey is UFRRVVXGVCXGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-4-6(10)3-7(11)5(2)8(4)9/h3H,11H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2,4-dimethylaniline?
3-bromo-5-chloro-2,4-dimethylaniline has a molecular weight of 234.52 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2,4-dimethylaniline is sourced from PubChem (CID 84797130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).