Basic information
- CAS
174523-94-5- Standard SMILES
Cc1cc(C#N)cc(C)c1OCCCc1cccnc1- InChIKey
NWMXONRYNMPNEZ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-[3-(3-pyridinyl)propoxy]benzonitrile
- IUPAC
- 3,5-dimethyl-4-(3-pyridin-3-ylpropoxy)benzonitrile
Names & synonyms
3,5-Dimethyl-4-[3-(3-pyridinyl)propoxy]benzonitrileSCHEMBL8923501DTXSID801223679174523-94-53,5-Dimethyl-4-[3-(pyridin-3-yl)propoxy]benzonitrile
Database identifiers
- CAS
174523-94-5- PubChem CID
- 19082036
- DTXSID
DTXSID801223679
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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