2-bromo-N,4-dimethylaniline

C8H10BrN — CID 13156648

IUPAC2-bromo-N,4-dimethylaniline
SMILESCNc1ccc(C)cc1Br
InChIInChI=1S/C8H10BrN/c1-6-3-4-8(10-2)7(9)5-6/h3-5,10H,1-2H3
InChIKeyFDDHUFWBGIOMAD-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.80
Rot. Bonds1

About 2-bromo-N,4-dimethylaniline

2-bromo-N,4-dimethylaniline (PubChem CID 13156648) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-bromo-N,4-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N,4-dimethylaniline
PubChem CID13156648
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-bromo-N,4-dimethylaniline
SMILESCNc1ccc(C)cc1Br
InChIInChI=1S/C8H10BrN/c1-6-3-4-8(10-2)7(9)5-6/h3-5,10H,1-2H3
InChIKeyFDDHUFWBGIOMAD-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,4-dimethylaniline?
The IUPAC name of 2-bromo-N,4-dimethylaniline (CID 13156648) is 2-bromo-N,4-dimethylaniline.
What is the SMILES notation for 2-bromo-N,4-dimethylaniline?
The canonical SMILES for 2-bromo-N,4-dimethylaniline is CNc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N,4-dimethylaniline?
The InChIKey is FDDHUFWBGIOMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-4-8(10-2)7(9)5-6/h3-5,10H,1-2H3.
What are the key properties of 2-bromo-N,4-dimethylaniline?
2-bromo-N,4-dimethylaniline has a molecular weight of 200.08 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,4-dimethylaniline is sourced from PubChem (CID 13156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).