2H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(2-methylphenyl)-
Basic information
- CAS
61862-97-3- Standard SMILES
Cc1ccccc1-n1cc2c(c1)CC(C)CC2- InChIKey
GHQIRFCVUWHCRF-UHFFFAOYSA-N- Molecular formula
- C16H19N
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.15174961
Names & identifiers
- Preferred name
- 2H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(2-methylphenyl)-
- IUPAC
- 5-methyl-2-(2-methylphenyl)-4,5,6,7-tetrahydroisoindole
Names & synonyms
61862-97-32H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(2-methylphenyl)-DTXSID204854515-Methyl-2-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-isoindole
Database identifiers
- CAS
61862-97-3- PubChem CID
- 12295484
- DTXSID
DTXSID20485451
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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