(1S,5R)-1-(3,4-Dichlorophenyl)-3-azabicyclo(3.1.0)hexane
Basic information
- CAS
410074-75-8- Standard SMILES
Clc1ccc([C@@]23CNC[C@@H]2C3)cc1Cl- InChIKey
BSMNRYCSBFHEMQ-GZMMTYOYSA-N- Molecular formula
- C11H11Cl2N
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 227.0268547
Names & identifiers
- Preferred name
- (1S,5R)-1-(3,4-Dichlorophenyl)-3-azabicyclo(3.1.0)hexane
- IUPAC
- (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
Names & synonyms
410074-75-8(-)-AmitifadineDOV-102677NS8NWQ6NF4UNII-NS8NWQ6NF4DOV-102,677CHEMBL488638(1S,5R)-1-(3,4-Dichlorophenyl)-3-azabicyclo(3.1.0)hexane(-)-1-(3,4-Dichlorophenyl)-3-azabicyclo(3.1.0)hexane(1s,5r)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, (1S,5R)-3-Azabicyclo[3.1.0]hexane, 1-(3,4-dichlorophenyl)-, (1S,5R)-
Show more names
SCHEMBL378061orb1740205SCHEMBL29393526DTXSID50469820BDBM50243896T69275(1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane(1s,5r)-(-)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
Database identifiers
- CAS
410074-75-8- PubChem CID
- 11637190
- DTXSID
DTXSID50469820- ChEMBL
CHEMBL488638- UNII
- NS8NWQ6NF4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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