4-(2-phenylethenyl)aniline

C14H13N — CID 13265

IUPAC4-(2-phenylethenyl)aniline
SMILESNc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2
InChIKeyVFPLSXYJYAKZCT-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.44
Rot. Bonds2

About 4-(2-phenylethenyl)aniline

4-(2-phenylethenyl)aniline (PubChem CID 13265) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2-phenylethenyl)aniline.

Molecular Properties

Compound Name4-(2-phenylethenyl)aniline
PubChem CID13265
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name4-(2-phenylethenyl)aniline
SMILESNc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2
InChIKeyVFPLSXYJYAKZCT-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.44
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

1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
CID 71496267
4-[2-[4-[2-(4-aminophenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 54470834
CID 70569152
CID 70569152
CID 70567885
CID 70567885
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
4-[2-(2-chlorophenyl)ethenyl]aniline
CID 54098243

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)aniline?
The IUPAC name of 4-(2-phenylethenyl)aniline (CID 13265) is 4-(2-phenylethenyl)aniline.
What is the SMILES notation for 4-(2-phenylethenyl)aniline?
The canonical SMILES for 4-(2-phenylethenyl)aniline is Nc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethenyl)aniline?
The InChIKey is VFPLSXYJYAKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2.
What are the key properties of 4-(2-phenylethenyl)aniline?
4-(2-phenylethenyl)aniline has a molecular weight of 195.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)aniline is sourced from PubChem (CID 13265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).