4-bromo-N-phenylaniline

C12H10BrN — CID 6425786

IUPAC4-bromo-N-phenylaniline
SMILESBrc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyCCIVUDMVXNBUCY-UHFFFAOYSA-N
MW248.12 g/mol
LogP4.19
Rot. Bonds2

About 4-bromo-N-phenylaniline

4-bromo-N-phenylaniline (PubChem CID 6425786) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 4-bromo-N-phenylaniline.

Molecular Properties

Compound Name4-bromo-N-phenylaniline
PubChem CID6425786
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name4-bromo-N-phenylaniline
SMILESBrc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyCCIVUDMVXNBUCY-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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Related Compounds

Diphenylamine
CID 11487
4'-Bromoacetanilide
CID 7683
Tris(4-bromophenyl)amine
CID 258027
4-bromo-N,N-dimethylaniline
CID 11465
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
Hexachloroantimony(1-);tris(4-bromophenyl)azanium
CID 16699328
1-(4-Bromophenyl)-3-phenylthiourea
CID 681388
n-(4-Bromophenyl)prop-2-enamide
CID 263609
1-(4-Bromophenyl)-3-phenylurea
CID 598833
Diphenylamine hydrochloride
CID 68311
Smr000102306
CID 622051
N-benzyl-4-bromoaniline
CID 961575

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylaniline?
The IUPAC name of 4-bromo-N-phenylaniline (CID 6425786) is 4-bromo-N-phenylaniline.
What is the SMILES notation for 4-bromo-N-phenylaniline?
The canonical SMILES for 4-bromo-N-phenylaniline is Brc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-phenylaniline?
The InChIKey is CCIVUDMVXNBUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H.
What are the key properties of 4-bromo-N-phenylaniline?
4-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 4-bromo-N-phenylaniline is sourced from PubChem (CID 6425786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).