3-[(E)-2-phenylethenyl]aniline

C14H13N — CID 5375423

IUPAC3-[(E)-2-phenylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H13N/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,15H2/b10-9+
InChIKeySTNDIHAVRCIBCC-MDZDMXLPSA-N
MW195.27 g/mol
LogP3.44
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]aniline

3-[(E)-2-phenylethenyl]aniline (PubChem CID 5375423) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]aniline
PubChem CID5375423
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name3-[(E)-2-phenylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H13N/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,15H2/b10-9+
InChIKeySTNDIHAVRCIBCC-MDZDMXLPSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]aniline?
The IUPAC name of 3-[(E)-2-phenylethenyl]aniline (CID 5375423) is 3-[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]aniline?
The canonical SMILES for 3-[(E)-2-phenylethenyl]aniline is Nc1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]aniline?
The InChIKey is STNDIHAVRCIBCC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H13N/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,15H2/b10-9+.
What are the key properties of 3-[(E)-2-phenylethenyl]aniline?
3-[(E)-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 3-[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 5375423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).