Basic information
- CAS
30451-35-5- Standard SMILES
CC1CCc2cn(-c3ccccc3)cc2C1- InChIKey
GSBAHFYOPQABGR-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-phenyl-
- IUPAC
- 5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole
Names & synonyms
30451-35-5ISOINDOLE, 4,5,6,7-TETRAHYDRO-5-METHYL-2-PHENYL-RefChem:10875605-Methyl-2-phenyl-4,5,6,7-tetrahydroisoindoleBRN 14543795-Methyl-2-phenyl-4,5,6,7-tetrahydro-2H-isoindoleDTXSID10952783
Database identifiers
- CAS
30451-35-5- PubChem CID
- 35348
- DTXSID
DTXSID10952783- Nikkaji
- J68.608E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…