4-bromo-N,2-diethylaniline

C10H14BrN — CID 23053415

IUPAC4-bromo-N,2-diethylaniline
SMILESCCNc1ccc(Br)cc1CC
InChIInChI=1S/C10H14BrN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBDJLKPUFQWYGBC-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-N,2-diethylaniline

4-bromo-N,2-diethylaniline (PubChem CID 23053415) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-N,2-diethylaniline.

Molecular Properties

Compound Name4-bromo-N,2-diethylaniline
PubChem CID23053415
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-N,2-diethylaniline
SMILESCCNc1ccc(Br)cc1CC
InChIInChI=1S/C10H14BrN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBDJLKPUFQWYGBC-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N,2-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2-diethylaniline?
The IUPAC name of 4-bromo-N,2-diethylaniline (CID 23053415) is 4-bromo-N,2-diethylaniline.
What is the SMILES notation for 4-bromo-N,2-diethylaniline?
The canonical SMILES for 4-bromo-N,2-diethylaniline is CCNc1ccc(Br)cc1CC.
What is the InChIKey of 4-bromo-N,2-diethylaniline?
The InChIKey is BDJLKPUFQWYGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,2-diethylaniline?
4-bromo-N,2-diethylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2-diethylaniline is sourced from PubChem (CID 23053415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).