2-bromo-N-phenylaniline

C12H10BrN — CID 6425787

IUPAC2-bromo-N-phenylaniline
SMILESBrc1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKeyWAAWAHYRHUWAFM-UHFFFAOYSA-N
MW248.12 g/mol
LogP4.19
Rot. Bonds2

About 2-bromo-N-phenylaniline

2-bromo-N-phenylaniline (PubChem CID 6425787) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-bromo-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-N-phenylaniline
PubChem CID6425787
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name2-bromo-N-phenylaniline
SMILESBrc1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKeyWAAWAHYRHUWAFM-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-phenylaniline?
The IUPAC name of 2-bromo-N-phenylaniline (CID 6425787) is 2-bromo-N-phenylaniline.
What is the SMILES notation for 2-bromo-N-phenylaniline?
The canonical SMILES for 2-bromo-N-phenylaniline is Brc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-bromo-N-phenylaniline?
The InChIKey is WAAWAHYRHUWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 2-bromo-N-phenylaniline?
2-bromo-N-phenylaniline has a molecular weight of 248.12 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-phenylaniline is sourced from PubChem (CID 6425787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).