4-bromo-2-chloro-6-methylaniline;hydrochloride

C7H8BrCl2N — CID 42960873

IUPAC4-bromo-2-chloro-6-methylaniline;hydrochloride
SMILESCc1cc(Br)cc(Cl)c1N.Cl
InChIInChI=1S/C7H7BrClN.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3H,10H2,1H3;1H
InChIKeyXKFYMQVEBXSXCW-UHFFFAOYSA-N
MW256.96 g/mol
LogP3.41
Rot. Bonds

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

4-bromo-2-chloro-6-methylaniline;hydrochloride (PubChem CID 42960873) has the molecular formula C7H8BrCl2N and a molecular weight of 256.96 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-methylaniline;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-chloro-6-methylaniline;hydrochloride
PubChem CID42960873
Molecular FormulaC7H8BrCl2N
Molecular Weight256.96 g/mol
Exact Mass254.92
IUPAC Name4-bromo-2-chloro-6-methylaniline;hydrochloride
SMILESCc1cc(Br)cc(Cl)c1N.Cl
InChIInChI=1S/C7H7BrClN.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3H,10H2,1H3;1H
InChIKeyXKFYMQVEBXSXCW-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.96
LogP ≤ 53.41
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

2-Bromo-6-chloro-4-(trifluoromethyl)aniline
CID 737196
4-Bromo-2-chloro-6-methylaniline
CID 2769626
5-Bromo-1-chloro-2-isocyanato-3-methylbenzene
CID 2769627
4-Bromo-2-chloro-6-(trifluoromethyl)aniline
CID 16217937
2-Bromo-4-chloro-6-(trifluoromethyl)aniline
CID 16218277
2-Amino-5-bromo-3-chlorobenzonitrile
CID 26598311
2-Bromo-4-chloro-6-methylbenzenamine
CID 20543754
N-(4-bromo-2-chloro-6-methylphenyl)methanesulfonamide
CID 89773709
(2-Bromo-4-chloro-6-methylphenyl)hydrazine;hydrochloride
CID 177800386
N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]methanesulfonamide
CID 89775130
4-Bromo-2-chloro-3-fluoro-6-methylaniline
CID 116463587
4-Bromo-2-chloro-6-(fluoromethyl)aniline
CID 117980499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-methylaniline;hydrochloride?
The IUPAC name of 4-bromo-2-chloro-6-methylaniline;hydrochloride (CID 42960873) is 4-bromo-2-chloro-6-methylaniline;hydrochloride.
What is the SMILES notation for 4-bromo-2-chloro-6-methylaniline;hydrochloride?
The canonical SMILES for 4-bromo-2-chloro-6-methylaniline;hydrochloride is Cc1cc(Br)cc(Cl)c1N.Cl.
What is the InChIKey of 4-bromo-2-chloro-6-methylaniline;hydrochloride?
The InChIKey is XKFYMQVEBXSXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3H,10H2,1H3;1H.
What are the key properties of 4-bromo-2-chloro-6-methylaniline;hydrochloride?
4-bromo-2-chloro-6-methylaniline;hydrochloride has a molecular weight of 256.96 g/mol, XLogP of 3.41, 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;hydrochloride is sourced from PubChem (CID 42960873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).