Basic information
- Standard SMILES
COc1ccc(Cc2ccc(N)c(C#N)c2)cc1OC- InChIKey
BCOCRRZUEBEPNY-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 2-Amino-5-(3',4'-dimethoxybenzyl)benzonitrile
- IUPAC
- 2-amino-5-[(3,4-dimethoxyphenyl)methyl]benzonitrile
Names & synonyms
SCHEMBL5357864BCOCRRZUEBEPNY-UHFFFAOYSA-N2-Amino-5-(3',4'-dimethoxybenzyl)benzonitrile
Database identifiers
- PubChem CID
- 11086756
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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