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

C15H15NO — CID 5376491

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3/b3-2+
InChIKeyFUKHOQPXEPBRFC-NSCUHMNNSA-N
MW225.29 g/mol
LogP3.45
Rot. Bonds3

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

4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline (PubChem CID 5376491) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
PubChem CID5376491
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3/b3-2+
InChIKeyFUKHOQPXEPBRFC-NSCUHMNNSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline (CID 5376491) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline is COc1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The InChIKey is FUKHOQPXEPBRFC-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline has a molecular weight of 225.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 5376491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).