4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline

C16H17NO2 — CID 5377410

IUPAC4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(OC)c(/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3/b6-3+
InChIKeyOZGXSMOLBWHIQA-ZZXKWVIFSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds4

About 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline

4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline (PubChem CID 5377410) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline
PubChem CID5377410
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(OC)c(/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3/b6-3+
InChIKeyOZGXSMOLBWHIQA-ZZXKWVIFSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline (CID 5377410) is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline is COc1ccc(OC)c(/C=C/c2ccc(N)cc2)c1.
What is the InChIKey of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline?
The InChIKey is OZGXSMOLBWHIQA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3/b6-3+.
What are the key properties of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline?
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline has a molecular weight of 255.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 5377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).