2,6-dibromo-4-phenylaniline

C12H9Br2N — CID 10663925

IUPAC2,6-dibromo-4-phenylaniline
SMILESNc1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyYQZVEDKKWNYZSF-UHFFFAOYSA-N
MW327.02 g/mol
LogP4.46
Rot. Bonds1

About 2,6-dibromo-4-phenylaniline

2,6-dibromo-4-phenylaniline (PubChem CID 10663925) has the molecular formula C12H9Br2N and a molecular weight of 327.02 g/mol. Its IUPAC name is 2,6-dibromo-4-phenylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-phenylaniline
PubChem CID10663925
Molecular FormulaC12H9Br2N
Molecular Weight327.02 g/mol
Exact Mass324.91
IUPAC Name2,6-dibromo-4-phenylaniline
SMILESNc1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyYQZVEDKKWNYZSF-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-phenylaniline?
The IUPAC name of 2,6-dibromo-4-phenylaniline (CID 10663925) is 2,6-dibromo-4-phenylaniline.
What is the SMILES notation for 2,6-dibromo-4-phenylaniline?
The canonical SMILES for 2,6-dibromo-4-phenylaniline is Nc1c(Br)cc(-c2ccccc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-phenylaniline?
The InChIKey is YQZVEDKKWNYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 2,6-dibromo-4-phenylaniline?
2,6-dibromo-4-phenylaniline has a molecular weight of 327.02 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-phenylaniline is sourced from PubChem (CID 10663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).