Basic information
- Standard SMILES
COc1ccc(Cc2ccc(N)cc2)cc1Oc1cccc(C#N)c1- InChIKey
IHWVJOUKMWPILZ-UHFFFAOYSA-N- Molecular formula
- C21H18N2O2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.13682782
Names & identifiers
- Preferred name
- 3-[5-(4-Amino-benzyl)-2-methoxy-phenoxy]-benzonitrile
- IUPAC
- 3-[5-[(4-aminophenyl)methyl]-2-methoxyphenoxy]benzonitrile
Names & synonyms
SCHEMBL7859673IHWVJOUKMWPILZ-UHFFFAOYSA-N3-[5-(4-Amino-benzyl)-2-methoxy-phenoxy]-benzonitrile
Database identifiers
- PubChem CID
- 57701105
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Related reactions
1 records
Compound notes
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