4-bromo-N,N-dimethylaniline

C8H10BrN — CID 11465

IUPAC4-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyXYZWMVYYUIMRIZ-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.52
Rot. Bonds1

About 4-bromo-N,N-dimethylaniline

4-bromo-N,N-dimethylaniline (PubChem CID 11465) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N,N-dimethylaniline
PubChem CID11465
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyXYZWMVYYUIMRIZ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.52
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-dimethylaniline?
The IUPAC name of 4-bromo-N,N-dimethylaniline (CID 11465) is 4-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-bromo-N,N-dimethylaniline is CN(C)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dimethylaniline?
The InChIKey is XYZWMVYYUIMRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethylaniline?
4-bromo-N,N-dimethylaniline has a molecular weight of 200.08 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylaniline is sourced from PubChem (CID 11465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).