1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
Basic information
- CAS
152904-76-2- Standard SMILES
c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCCC3)cc1- InChIKey
UPVCGINOYOTKTC-UHFFFAOYSA-N- Molecular formula
- C20H19N
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.15174961
Names & identifiers
- Preferred name
- 1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
- IUPAC
- 1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
Names & synonyms
1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindoleCHEMBL344085152904-76-2SCHEMBL6993952DTXSID60432323BDBM50094540
Database identifiers
- CAS
152904-76-2- PubChem CID
- 9881981
- DTXSID
DTXSID60432323- ChEMBL
CHEMBL344085- Nikkaji
- J1.474.301D
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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