4-Chloro-2-[(3-hydroxy-1-phenylpropyl)methylamino]benzonitrile
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Basic information
- Standard SMILES
CN(c1cc(Cl)ccc1C#N)C(CCO)c1ccccc1- InChIKey
DUJZAWXUQGBFMG-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O
- Average molar mass
- 300.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-[(3-hydroxy-1-phenylpropyl)methylamino]benzonitrile
- IUPAC
- 4-chloro-2-[(3-hydroxy-1-phenylpropyl)-methylamino]benzonitrile
Names & synonyms
SCHEMBL6495957DUJZAWXUQGBFMG-UHFFFAOYSA-N4-Chloro-2-[(3-hydroxy-1-phenylpropyl)methylamino]benzonitrile
Database identifiers
- PubChem CID
- 69800985
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
1 records
Compound notes
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