5-Methyl-2-phenyloctahydro-1H-isoindole
Basic information
- CAS
65021-81-0- Standard SMILES
CC1CCC2CN(c3ccccc3)CC2C1- InChIKey
HCUHWVPLUKTLLT-UHFFFAOYSA-N- Molecular formula
- C15H21N
- Average molar mass
- 215.33 g/mol
- Monoisotopic mass
- 215.16739967
Names & identifiers
- Preferred name
- 5-Methyl-2-phenyloctahydro-1H-isoindole
- IUPAC
- 5-methyl-2-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
Names & synonyms
65021-81-0DTXSID709835735-methyl-2-phenyloctahydro-1H-isoindoleRefChem:1073097DTXCID1014108075-Methyl-2-phenylhexahydroisoindolineBRN 1642872ISOINDOLINE, HEXAHYDRO-5-METHYL-2-PHENYL-
Database identifiers
- CAS
65021-81-0- PubChem CID
- 47515
- DTXSID
DTXSID70983573- Nikkaji
- J68.628J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
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Related reactions
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Compound notes
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