N-bromo-4-methylaniline;hydrochloride

C7H9BrClN — CID 175327592

IUPACN-bromo-4-methylaniline;hydrochloride
SMILESCc1ccc(NBr)cc1.Cl
InChIInChI=1S/C7H8BrN.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,1H3;1H
InChIKeyGLOIUSOEDJDHNZ-UHFFFAOYSA-N
MW222.51 g/mol
LogP3.14
Rot. Bonds1

About N-bromo-4-methylaniline;hydrochloride

N-bromo-4-methylaniline;hydrochloride (PubChem CID 175327592) has the molecular formula C7H9BrClN and a molecular weight of 222.51 g/mol. Its IUPAC name is N-bromo-4-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-bromo-4-methylaniline;hydrochloride
PubChem CID175327592
Molecular FormulaC7H9BrClN
Molecular Weight222.51 g/mol
Exact Mass220.96
IUPAC NameN-bromo-4-methylaniline;hydrochloride
SMILESCc1ccc(NBr)cc1.Cl
InChIInChI=1S/C7H8BrN.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,1H3;1H
InChIKeyGLOIUSOEDJDHNZ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
N-methylmethanamine;1,4-xylene
CID 66760370
1-methyl-2-(4-methylphenyl)hydrazine;propane
CID 144808247
chloromethane;N-chloro-4-methylaniline
CID 174858040
CID 136742147
CID 136742147
methane;pentakis(1,4-xylene)
CID 160760083
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-fluoro-4-(4-methylphenyl)aniline
CID 156821673
dimethyl-(4-methylanilino)sulfanium
CID 100939930

Frequently Asked Questions

What is the IUPAC name of N-bromo-4-methylaniline;hydrochloride?
The IUPAC name of N-bromo-4-methylaniline;hydrochloride (CID 175327592) is N-bromo-4-methylaniline;hydrochloride.
What is the SMILES notation for N-bromo-4-methylaniline;hydrochloride?
The canonical SMILES for N-bromo-4-methylaniline;hydrochloride is Cc1ccc(NBr)cc1.Cl.
What is the InChIKey of N-bromo-4-methylaniline;hydrochloride?
The InChIKey is GLOIUSOEDJDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,1H3;1H.
What are the key properties of N-bromo-4-methylaniline;hydrochloride?
N-bromo-4-methylaniline;hydrochloride has a molecular weight of 222.51 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-4-methylaniline;hydrochloride is sourced from PubChem (CID 175327592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).