4-(3-bromoprop-1-enyl)-N,N-diphenylaniline

C21H18BrN — CID 169476559

IUPAC4-(3-bromoprop-1-enyl)-N,N-diphenylaniline
SMILESBrCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18BrN/c22-17-7-8-18-13-15-21(16-14-18)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16H,17H2
InChIKeyLNIFIIRYDXTFQX-UHFFFAOYSA-N
MW364.29 g/mol
LogP6.56
Rot. Bonds5

About 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline

4-(3-bromoprop-1-enyl)-N,N-diphenylaniline (PubChem CID 169476559) has the molecular formula C21H18BrN and a molecular weight of 364.29 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-N,N-diphenylaniline
PubChem CID169476559
Molecular FormulaC21H18BrN
Molecular Weight364.29 g/mol
Exact Mass363.06
IUPAC Name4-(3-bromoprop-1-enyl)-N,N-diphenylaniline
SMILESBrCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18BrN/c22-17-7-8-18-13-15-21(16-14-18)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16H,17H2
InChIKeyLNIFIIRYDXTFQX-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.29
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-bromoprop-1-enyl)-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

Related Compounds

N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline (CID 169476559) is 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline is BrCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline?
The InChIKey is LNIFIIRYDXTFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN/c22-17-7-8-18-13-15-21(16-14-18)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16H,17H2.
What are the key properties of 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline?
4-(3-bromoprop-1-enyl)-N,N-diphenylaniline has a molecular weight of 364.29 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-N,N-diphenylaniline is sourced from PubChem (CID 169476559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).