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

C14H12BrN — CID 165349864

IUPAC4-[(E)-2-(4-bromophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrN/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,16H2/b2-1+
InChIKeyLIVPLMYFTYKEHZ-OWOJBTEDSA-N
MW274.16 g/mol
LogP4.20
Rot. Bonds2

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

4-[(E)-2-(4-bromophenyl)ethenyl]aniline (PubChem CID 165349864) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-[(E)-2-(4-bromophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-bromophenyl)ethenyl]aniline
PubChem CID165349864
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name4-[(E)-2-(4-bromophenyl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrN/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,16H2/b2-1+
InChIKeyLIVPLMYFTYKEHZ-OWOJBTEDSA-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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Related Compounds

4-(2-phenylethenyl)aniline
CID 13265
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
4-[(E)-2-(2-bromophenyl)ethenyl]aniline
CID 89320791
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-[(E)-prop-1-enyl]aniline;hydrochloride
CID 119031382
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-bromophenyl)ethenyl]aniline (CID 165349864) is 4-[(E)-2-(4-bromophenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-bromophenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-bromophenyl)ethenyl]aniline is Nc1ccc(/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-bromophenyl)ethenyl]aniline?
The InChIKey is LIVPLMYFTYKEHZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12BrN/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,16H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-bromophenyl)ethenyl]aniline?
4-[(E)-2-(4-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-(4-bromophenyl)ethenyl]aniline is sourced from PubChem (CID 165349864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).