Basic information
- CAS
40830-61-3- Standard SMILES
Cc1cccc2c1CN(C)[C@@H](C)C2c1ccccc1- InChIKey
PVFFWVHINRQSKE-PIVQAISJSA-N- Molecular formula
- C18H21N
- Average molar mass
- 251.4 g/mol
- Monoisotopic mass
- 251.16739967
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-4-phenyl-2,3,8-trimethyl-, (E)-
- IUPAC
- (3S)-2,3,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-4-PHENYL-2,3,8-TRIMETHYL-, (E)-40830-61-3RefChem:1087736trans-4-Phenyl-1,2,3,4-tetrahydro-2,3,8-trimethylisoquinolineBRN 1383269Isoquinoline, 4-phenyl-1,2,3,4-tetrahydro-2,3,8-trimethyl-, (E)-5-20-08-00168 (Beilstein Handbook Reference)DTXSID609612492,3,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline(3S)-2,3,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
40830-61-3- PubChem CID
- 38685
- DTXSID
DTXSID60961249
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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