4-bromo-N,N-diethylaniline

C10H14BrN — CID 16328

IUPAC4-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyNGYMZFJVHHKJQR-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.30
Rot. Bonds3

About 4-bromo-N,N-diethylaniline

4-bromo-N,N-diethylaniline (PubChem CID 16328) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-N,N-diethylaniline.

Molecular Properties

Compound Name4-bromo-N,N-diethylaniline
PubChem CID16328
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyNGYMZFJVHHKJQR-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethylaniline?
The IUPAC name of 4-bromo-N,N-diethylaniline (CID 16328) is 4-bromo-N,N-diethylaniline.
What is the SMILES notation for 4-bromo-N,N-diethylaniline?
The canonical SMILES for 4-bromo-N,N-diethylaniline is CCN(CC)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-diethylaniline?
The InChIKey is NGYMZFJVHHKJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,N-diethylaniline?
4-bromo-N,N-diethylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethylaniline is sourced from PubChem (CID 16328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).