4-bromo-N-ethylaniline

C8H10BrN — CID 11745656

IUPAC4-bromo-N-ethylaniline
SMILESCCNc1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyVYSQUDVPQJEULO-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-N-ethylaniline

4-bromo-N-ethylaniline (PubChem CID 11745656) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-N-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-ethylaniline
PubChem CID11745656
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-N-ethylaniline
SMILESCCNc1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyVYSQUDVPQJEULO-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethylaniline?
The IUPAC name of 4-bromo-N-ethylaniline (CID 11745656) is 4-bromo-N-ethylaniline.
What is the SMILES notation for 4-bromo-N-ethylaniline?
The canonical SMILES for 4-bromo-N-ethylaniline is CCNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethylaniline?
The InChIKey is VYSQUDVPQJEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3.
What are the key properties of 4-bromo-N-ethylaniline?
4-bromo-N-ethylaniline has a molecular weight of 200.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethylaniline is sourced from PubChem (CID 11745656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).