4-bromo-N,N-diphenylaniline

C18H14BrN — CID 642838

IUPAC4-bromo-N,N-diphenylaniline
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeySQTLUXJWUCHKMT-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.92
Rot. Bonds3

About 4-bromo-N,N-diphenylaniline

4-bromo-N,N-diphenylaniline (PubChem CID 642838) has the molecular formula C18H14BrN and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylaniline.

Molecular Properties

Compound Name4-bromo-N,N-diphenylaniline
PubChem CID642838
Molecular FormulaC18H14BrN
Molecular Weight324.22 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N,N-diphenylaniline
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeySQTLUXJWUCHKMT-UHFFFAOYSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylaniline?
The IUPAC name of 4-bromo-N,N-diphenylaniline (CID 642838) is 4-bromo-N,N-diphenylaniline.
What is the SMILES notation for 4-bromo-N,N-diphenylaniline?
The canonical SMILES for 4-bromo-N,N-diphenylaniline is Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-bromo-N,N-diphenylaniline?
The InChIKey is SQTLUXJWUCHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 4-bromo-N,N-diphenylaniline?
4-bromo-N,N-diphenylaniline has a molecular weight of 324.22 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylaniline is sourced from PubChem (CID 642838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).