4-bromo-N-ethyl-3-methylaniline;hydrochloride

C9H13BrClN — CID 75530858

IUPAC4-bromo-N-ethyl-3-methylaniline;hydrochloride
SMILESCCNc1ccc(Br)c(C)c1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-3-11-8-4-5-9(10)7(2)6-8;/h4-6,11H,3H2,1-2H3;1H
InChIKeyLUAZEFZNRSJECA-UHFFFAOYSA-N
MW250.57 g/mol
LogP3.61
Rot. Bonds2

About 4-bromo-N-ethyl-3-methylaniline;hydrochloride

4-bromo-N-ethyl-3-methylaniline;hydrochloride (PubChem CID 75530858) has the molecular formula C9H13BrClN and a molecular weight of 250.57 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methylaniline;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methylaniline;hydrochloride
PubChem CID75530858
Molecular FormulaC9H13BrClN
Molecular Weight250.57 g/mol
Exact Mass248.99
IUPAC Name4-bromo-N-ethyl-3-methylaniline;hydrochloride
SMILESCCNc1ccc(Br)c(C)c1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-3-11-8-4-5-9(10)7(2)6-8;/h4-6,11H,3H2,1-2H3;1H
InChIKeyLUAZEFZNRSJECA-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methylaniline;hydrochloride?
The IUPAC name of 4-bromo-N-ethyl-3-methylaniline;hydrochloride (CID 75530858) is 4-bromo-N-ethyl-3-methylaniline;hydrochloride.
What is the SMILES notation for 4-bromo-N-ethyl-3-methylaniline;hydrochloride?
The canonical SMILES for 4-bromo-N-ethyl-3-methylaniline;hydrochloride is CCNc1ccc(Br)c(C)c1.Cl.
What is the InChIKey of 4-bromo-N-ethyl-3-methylaniline;hydrochloride?
The InChIKey is LUAZEFZNRSJECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.ClH/c1-3-11-8-4-5-9(10)7(2)6-8;/h4-6,11H,3H2,1-2H3;1H.
What are the key properties of 4-bromo-N-ethyl-3-methylaniline;hydrochloride?
4-bromo-N-ethyl-3-methylaniline;hydrochloride has a molecular weight of 250.57 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methylaniline;hydrochloride is sourced from PubChem (CID 75530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).