Basic information
- Standard SMILES
CCc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.Cl.Cl- InChIKey
RNPOGTYLPIRGLE-DPSPSOFVSA-N- Molecular formula
- C19H26Cl2F2N2O
- Average molar mass
- 407.3 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylbenzyl)amino]butan-2-ol dihydrochloride
- IUPAC
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;dihydrochloride
Names & synonyms
SCHEMBL3348461RNPOGTYLPIRGLE-DPSPSOFVSA-N(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylbenzyl)amino]butan-2-ol dihydrochloride(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1[(3-ethylbenzyl)amino]butan-2-ol dihydrochloride
Database identifiers
- PubChem CID
- 57487281
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 348
Related reactions
44 records
Compound notes
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