Basic information
- Standard SMILES
COc1ccc(C(=CC#N)c2cccc(N)c2)cc1OC- InChIKey
DYLUPDBOTJFIPE-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-3-(3-aminophenyl)acrylonitrile
- IUPAC
- 3-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Names & synonyms
SCHEMBL4816381DYLUPDBOTJFIPE-UHFFFAOYSA-N3-(3,4-dimethoxyphenyl)-3-(3-aminophenyl)acrylonitrile3-(3'-Aminophenyl)-3-(3,4-dimethoxyphenyl)acrylonitrile
Database identifiers
- PubChem CID
- 53785869
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
12 records
Compound notes
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