Basic information
- Standard SMILES
CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)c1.Cl.Cl- InChIKey
QSGRRQQRUKFJQV-DPSPSOFVSA-N- Molecular formula
- C19H28Cl2N2O
- Average molar mass
- 371.3 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-3-amino-1-[(3-ethylbenzyl)amino]-4-phenylbutan-2-ol dihydrochloride
- IUPAC
- (2R,3S)-3-amino-1-[(3-ethylphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
Names & synonyms
SCHEMBL3348567QSGRRQQRUKFJQV-DPSPSOFVSA-N(2R,3S)-3-amino-1-[(3-ethylbenzyl)amino]-4-phenylbutan-2-ol dihydrochloride
Database identifiers
- PubChem CID
- 57487283
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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