2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone
Basic information
- CAS
3532-79-4- Standard SMILES
NCCN1C(=O)c2ccccc2C1(O)c1ccccc1- InChIKey
MXSAPVMERXGFSJ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone
- IUPAC
- 2-(2-aminoethyl)-3-hydroxy-3-phenylisoindol-1-one
Names & synonyms
3532-79-42-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinoneNSC 69358NSC693581H-Isoindol-1-one,2-(2-aminoethyl)-2,3-dihydro-3-hydroxy-3-phenyl-, hydrochloride (1:1)SCHEMBL4915352SCHEMBL4915357AKOS0026698112-(2-aminoethyl)-3-hydroxy-3-phenyl-isoindolin-1-one
Database identifiers
- CAS
3532-79-4- PubChem CID
- 415364
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
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Compound notes
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