3-bromo-4-chloro-N-ethylaniline;hydrochloride

C8H10BrCl2N — CID 68626677

IUPAC3-bromo-4-chloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-2-11-6-3-4-8(10)7(9)5-6;/h3-5,11H,2H2,1H3;1H
InChIKeyWAQCBZJJJMFOMB-UHFFFAOYSA-N
MW270.99 g/mol
LogP3.96
Rot. Bonds2

About 3-bromo-4-chloro-N-ethylaniline;hydrochloride

3-bromo-4-chloro-N-ethylaniline;hydrochloride (PubChem CID 68626677) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethylaniline;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethylaniline;hydrochloride
PubChem CID68626677
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC Name3-bromo-4-chloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-2-11-6-3-4-8(10)7(9)5-6;/h3-5,11H,2H2,1H3;1H
InChIKeyWAQCBZJJJMFOMB-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethylaniline;hydrochloride?
The IUPAC name of 3-bromo-4-chloro-N-ethylaniline;hydrochloride (CID 68626677) is 3-bromo-4-chloro-N-ethylaniline;hydrochloride.
What is the SMILES notation for 3-bromo-4-chloro-N-ethylaniline;hydrochloride?
The canonical SMILES for 3-bromo-4-chloro-N-ethylaniline;hydrochloride is CCNc1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of 3-bromo-4-chloro-N-ethylaniline;hydrochloride?
The InChIKey is WAQCBZJJJMFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c1-2-11-6-3-4-8(10)7(9)5-6;/h3-5,11H,2H2,1H3;1H.
What are the key properties of 3-bromo-4-chloro-N-ethylaniline;hydrochloride?
3-bromo-4-chloro-N-ethylaniline;hydrochloride has a molecular weight of 270.99 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethylaniline;hydrochloride is sourced from PubChem (CID 68626677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).