Basic information
- Standard SMILES
COC(=O)CCCOc1ccc(CC(C)NCC(O)c2ccccc2)cc1- InChIKey
GJGCUANFBLMYQY-UHFFFAOYSA-N- Molecular formula
- C22H29NO4
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-(3-Carbomethoxypropoxy)phenyl)-1-methylethyl]-2-hydroxy-2-phenylethanamine
- IUPAC
- methyl 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenoxy]butanoate
Names & synonyms
SCHEMBL11242404GJGCUANFBLMYQY-UHFFFAOYSA-NN-[2-(4-(3-Carbomethoxypropoxy)phenyl)-1-methylethyl]-2-hydroxy-2-phenylethanamine
Database identifiers
- PubChem CID
- 20533267
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 403
Related reactions
2 records
Compound notes
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