Basic information
- CAS
42576-07-8- Standard SMILES
CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN- InChIKey
LYBJBWHVNPHBMH-UHFFFAOYSA-N- Molecular formula
- C20H25NO2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18852904
Names & identifiers
- Preferred name
- 4-Amino-3-methyl-1,2-diphenylbutan-2-YL propanoate
- IUPAC
- (4-amino-3-methyl-1,2-diphenylbutan-2-yl) propanoate
Names & synonyms
4-AMINO-3-METHYL-1,2-DIPHENYLBUTAN-2-YL PROPANOATE42576-07-8CHEMBL3303761DTXSID40962572
Database identifiers
- CAS
42576-07-8- PubChem CID
- 39231
- DTXSID
DTXSID40962572- ChEMBL
CHEMBL3303761
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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