2-bromo-N-ethylaniline;hydrobromide

C8H11Br2N — CID 175521152

IUPAC2-bromo-N-ethylaniline;hydrobromide
SMILESBr.CCNc1ccccc1Br
InChIInChI=1S/C8H10BrN.BrH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H
InChIKeyVIEJXAZVKWYPBC-UHFFFAOYSA-N
MW280.99 g/mol
LogP3.46
Rot. Bonds2

About 2-bromo-N-ethylaniline;hydrobromide

2-bromo-N-ethylaniline;hydrobromide (PubChem CID 175521152) has the molecular formula C8H11Br2N and a molecular weight of 280.99 g/mol. Its IUPAC name is 2-bromo-N-ethylaniline;hydrobromide.

Molecular Properties

Compound Name2-bromo-N-ethylaniline;hydrobromide
PubChem CID175521152
Molecular FormulaC8H11Br2N
Molecular Weight280.99 g/mol
Exact Mass278.93
IUPAC Name2-bromo-N-ethylaniline;hydrobromide
SMILESBr.CCNc1ccccc1Br
InChIInChI=1S/C8H10BrN.BrH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H
InChIKeyVIEJXAZVKWYPBC-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.99
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethylaniline;hydrobromide?
The IUPAC name of 2-bromo-N-ethylaniline;hydrobromide (CID 175521152) is 2-bromo-N-ethylaniline;hydrobromide.
What is the SMILES notation for 2-bromo-N-ethylaniline;hydrobromide?
The canonical SMILES for 2-bromo-N-ethylaniline;hydrobromide is Br.CCNc1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethylaniline;hydrobromide?
The InChIKey is VIEJXAZVKWYPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.BrH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H.
What are the key properties of 2-bromo-N-ethylaniline;hydrobromide?
2-bromo-N-ethylaniline;hydrobromide has a molecular weight of 280.99 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethylaniline;hydrobromide is sourced from PubChem (CID 175521152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).