5-bromo-N,2-dimethylaniline;hydrochloride

C8H11BrClN — CID 46739569

IUPAC5-bromo-N,2-dimethylaniline;hydrochloride
SMILESCNc1cc(Br)ccc1C.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-3-4-7(9)5-8(6)10-2;/h3-5,10H,1-2H3;1H
InChIKeyMJPCNUHVQHEASF-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-N,2-dimethylaniline;hydrochloride

5-bromo-N,2-dimethylaniline;hydrochloride (PubChem CID 46739569) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 5-bromo-N,2-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name5-bromo-N,2-dimethylaniline;hydrochloride
PubChem CID46739569
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name5-bromo-N,2-dimethylaniline;hydrochloride
SMILESCNc1cc(Br)ccc1C.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-3-4-7(9)5-8(6)10-2;/h3-5,10H,1-2H3;1H
InChIKeyMJPCNUHVQHEASF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethylaniline;hydrochloride?
The IUPAC name of 5-bromo-N,2-dimethylaniline;hydrochloride (CID 46739569) is 5-bromo-N,2-dimethylaniline;hydrochloride.
What is the SMILES notation for 5-bromo-N,2-dimethylaniline;hydrochloride?
The canonical SMILES for 5-bromo-N,2-dimethylaniline;hydrochloride is CNc1cc(Br)ccc1C.Cl.
What is the InChIKey of 5-bromo-N,2-dimethylaniline;hydrochloride?
The InChIKey is MJPCNUHVQHEASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-6-3-4-7(9)5-8(6)10-2;/h3-5,10H,1-2H3;1H.
What are the key properties of 5-bromo-N,2-dimethylaniline;hydrochloride?
5-bromo-N,2-dimethylaniline;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethylaniline;hydrochloride is sourced from PubChem (CID 46739569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).