4-[(E)-2-(2-bromophenyl)ethenyl]aniline

C14H12BrN — CID 89320791

IUPAC4-[(E)-2-(2-bromophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccccc2Br)cc1
InChIInChI=1S/C14H12BrN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2/b8-5+
InChIKeyHGXFOMAFRCEWAM-VMPITWQZSA-N
MW274.16 g/mol
LogP4.20
Rot. Bonds2

About 4-[(E)-2-(2-bromophenyl)ethenyl]aniline

4-[(E)-2-(2-bromophenyl)ethenyl]aniline (PubChem CID 89320791) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-[(E)-2-(2-bromophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(2-bromophenyl)ethenyl]aniline
PubChem CID89320791
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name4-[(E)-2-(2-bromophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccccc2Br)cc1
InChIInChI=1S/C14H12BrN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2/b8-5+
InChIKeyHGXFOMAFRCEWAM-VMPITWQZSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-bromophenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(2-bromophenyl)ethenyl]aniline (CID 89320791) is 4-[(E)-2-(2-bromophenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(2-bromophenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(2-bromophenyl)ethenyl]aniline is Nc1ccc(/C=C/c2ccccc2Br)cc1.
What is the InChIKey of 4-[(E)-2-(2-bromophenyl)ethenyl]aniline?
The InChIKey is HGXFOMAFRCEWAM-VMPITWQZSA-N. The full InChI is InChI=1S/C14H12BrN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2/b8-5+.
What are the key properties of 4-[(E)-2-(2-bromophenyl)ethenyl]aniline?
4-[(E)-2-(2-bromophenyl)ethenyl]aniline has a molecular weight of 274.16 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-bromophenyl)ethenyl]aniline is sourced from PubChem (CID 89320791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).