3-bromo-N-ethylaniline;hydrochloride

C8H11BrClN — CID 43810671

IUPAC3-bromo-N-ethylaniline;hydrochloride
SMILESCCNc1cccc(Br)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-2-10-8-5-3-4-7(9)6-8;/h3-6,10H,2H2,1H3;1H
InChIKeyZTXSBUSWNSFQIC-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.30
Rot. Bonds2

About 3-bromo-N-ethylaniline;hydrochloride

3-bromo-N-ethylaniline;hydrochloride (PubChem CID 43810671) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 3-bromo-N-ethylaniline;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-ethylaniline;hydrochloride
PubChem CID43810671
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name3-bromo-N-ethylaniline;hydrochloride
SMILESCCNc1cccc(Br)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-2-10-8-5-3-4-7(9)6-8;/h3-6,10H,2H2,1H3;1H
InChIKeyZTXSBUSWNSFQIC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethylaniline;hydrochloride?
The IUPAC name of 3-bromo-N-ethylaniline;hydrochloride (CID 43810671) is 3-bromo-N-ethylaniline;hydrochloride.
What is the SMILES notation for 3-bromo-N-ethylaniline;hydrochloride?
The canonical SMILES for 3-bromo-N-ethylaniline;hydrochloride is CCNc1cccc(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-ethylaniline;hydrochloride?
The InChIKey is ZTXSBUSWNSFQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-2-10-8-5-3-4-7(9)6-8;/h3-6,10H,2H2,1H3;1H.
What are the key properties of 3-bromo-N-ethylaniline;hydrochloride?
3-bromo-N-ethylaniline;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethylaniline;hydrochloride is sourced from PubChem (CID 43810671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).