2-bromo-5-ethylaniline;hydrochloride

C8H11BrClN — CID 126796901

IUPAC2-bromo-5-ethylaniline;hydrochloride
SMILESCCc1ccc(Br)c(N)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-2-6-3-4-7(9)8(10)5-6;/h3-5H,2,10H2,1H3;1H
InChIKeyWTXUMCYOVDDDBB-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.02
Rot. Bonds1

About 2-bromo-5-ethylaniline;hydrochloride

2-bromo-5-ethylaniline;hydrochloride (PubChem CID 126796901) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 2-bromo-5-ethylaniline;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-ethylaniline;hydrochloride
PubChem CID126796901
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name2-bromo-5-ethylaniline;hydrochloride
SMILESCCc1ccc(Br)c(N)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-2-6-3-4-7(9)8(10)5-6;/h3-5H,2,10H2,1H3;1H
InChIKeyWTXUMCYOVDDDBB-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 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 ≤ 53.02
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

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2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
CID 82827974
2-bromo-5-[(4-methylphenyl)sulfanylmethyl]aniline
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2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethylaniline;hydrochloride?
The IUPAC name of 2-bromo-5-ethylaniline;hydrochloride (CID 126796901) is 2-bromo-5-ethylaniline;hydrochloride.
What is the SMILES notation for 2-bromo-5-ethylaniline;hydrochloride?
The canonical SMILES for 2-bromo-5-ethylaniline;hydrochloride is CCc1ccc(Br)c(N)c1.Cl.
What is the InChIKey of 2-bromo-5-ethylaniline;hydrochloride?
The InChIKey is WTXUMCYOVDDDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-2-6-3-4-7(9)8(10)5-6;/h3-5H,2,10H2,1H3;1H.
What are the key properties of 2-bromo-5-ethylaniline;hydrochloride?
2-bromo-5-ethylaniline;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethylaniline;hydrochloride is sourced from PubChem (CID 126796901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).