Basic information
- CAS
41958-63-8- Standard SMILES
C[C@H]1C(c2ccccc2)c2ccccc2CN1CCC#N- InChIKey
CFRWPPYCQRSFFW-FUKCDUGKSA-N- Molecular formula
- C19H20N2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.16264865
Names & identifiers
- Preferred name
- 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
- IUPAC
- 3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
Names & synonyms
DTXSID8096211241958-63-83-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrileRefChem:1066727DTXCID901389925BRN 1387494trans-3-Methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinepropionitrile2(1H)-ISOQUINOLINEPROPIONITRILE, 3,4-DIHYDRO-3-METHYL-4-PHENYL-, (E)-3-[(3S)-3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]propanenitrile
Database identifiers
- CAS
41958-63-8- PubChem CID
- 39063
- DTXSID
DTXSID80962112
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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