Basic information
- Standard SMILES
COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(N)cc3)cc2C1- InChIKey
LMNQEWJERHMHOM-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- Methyl 2-(5-(4-aminophenyl)isoindolin-2-yl)-3-methylbutanoate
- IUPAC
- methyl 2-[5-(4-aminophenyl)-1,3-dihydroisoindol-2-yl]-3-methylbutanoate
Names & synonyms
SCHEMBL2178540LMNQEWJERHMHOM-UHFFFAOYSA-NMethyl 2-(5-(4-aminophenyl)isoindolin-2-yl)-3-methylbutanoate
Database identifiers
- PubChem CID
- 67306308
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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