Basic information
- CAS
61910-27-8- Standard SMILES
Cc1cccc(-n2cc3c(c2)CCCC3)c1- InChIKey
BKCZVWIQYQMLNK-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- 2H-Isoindole, 4,5,6,7-tetrahydro-2-(3-methylphenyl)-
- IUPAC
- 2-(3-methylphenyl)-4,5,6,7-tetrahydroisoindole
Names & synonyms
61910-27-82H-Isoindole, 4,5,6,7-tetrahydro-2-(3-methylphenyl)-DTXSID604854502-(3-Methylphenyl)-4,5,6,7-tetrahydro-2H-isoindole
Database identifiers
- CAS
61910-27-8- PubChem CID
- 12295482
- DTXSID
DTXSID60485450
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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