Basic information
- Standard SMILES
CN(CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1)C(C)(C)C- InChIKey
LLWAOCRNMSZQOZ-UHFFFAOYSA-N- Molecular formula
- C22H24N2O
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-{2-[Tert-butyl(methyl)amino]ethyl}-1-benzofuran-5-yl)benzonitrile
- IUPAC
- 4-[2-[2-[tert-butyl(methyl)amino]ethyl]-1-benzofuran-5-yl]benzonitrile
Names & synonyms
SCHEMBL2785661LLWAOCRNMSZQOZ-UHFFFAOYSA-N4-(2-{2-[tert-butyl(methyl)amino]ethyl}-1-benzofuran-5-yl)benzonitrile
Database identifiers
- PubChem CID
- 9902153
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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