2-bromo-3,4-bis(ethenyl)aniline

C10H10BrN — CID 166695071

IUPAC2-bromo-3,4-bis(ethenyl)aniline
SMILESC=Cc1ccc(N)c(Br)c1C=C
InChIInChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2
InChIKeyJHVOTUSAWRIFMJ-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.32
Rot. Bonds2

About 2-bromo-3,4-bis(ethenyl)aniline

2-bromo-3,4-bis(ethenyl)aniline (PubChem CID 166695071) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-3,4-bis(ethenyl)aniline.

Molecular Properties

Compound Name2-bromo-3,4-bis(ethenyl)aniline
PubChem CID166695071
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-bromo-3,4-bis(ethenyl)aniline
SMILESC=Cc1ccc(N)c(Br)c1C=C
InChIInChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2
InChIKeyJHVOTUSAWRIFMJ-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3,4-bis(ethenyl)aniline 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

3,4-bis(ethenyl)-2-propan-2-ylaniline
CID 144871801
2,3-bis(ethenyl)aniline
CID 22666736
3-bromo-2-ethenyl-4-methylaniline
CID 154990614
3-bromo-1,2-bis(ethenyl)-4-nitrobenzene
CID 145442367
4-ethenyl-2,3-diethylaniline
CID 70188085
3,4,5,6-tetrakis(ethenyl)phenanthrene
CID 143743555
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
4-[(Z)-2-aminoethenyl]-2-bromobenzene-1,3-diamine
CID 172622213
1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene
CID 67702491
2-ethenyl-5-ethylaniline
CID 142605746
6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
CID 151812227
2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 143565766

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-bis(ethenyl)aniline?
The IUPAC name of 2-bromo-3,4-bis(ethenyl)aniline (CID 166695071) is 2-bromo-3,4-bis(ethenyl)aniline.
What is the SMILES notation for 2-bromo-3,4-bis(ethenyl)aniline?
The canonical SMILES for 2-bromo-3,4-bis(ethenyl)aniline is C=Cc1ccc(N)c(Br)c1C=C.
What is the InChIKey of 2-bromo-3,4-bis(ethenyl)aniline?
The InChIKey is JHVOTUSAWRIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2.
What are the key properties of 2-bromo-3,4-bis(ethenyl)aniline?
2-bromo-3,4-bis(ethenyl)aniline has a molecular weight of 224.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-bis(ethenyl)aniline is sourced from PubChem (CID 166695071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).