Basic information
- Standard SMILES
CCN(CC)C[C@@H]1CN2CC[C@H]1[C@@H](NCc1cc(OC)ccc1OC)[C@H]2C(c1ccccc1)c1ccccc1- InChIKey
PBLOHKRSZONQMK-NORCAOOESA-N- Molecular formula
- C34H45N3O2
- Average molar mass
- 527.7 g/mol
Names & identifiers
- Preferred name
- (2R*,3R*,4R*,5R*)-5-(N,N-Diethylaminomethyl)-3-(2,5-dimethoxybenzylamino)-2-diphenylmethyl-1-azabicyclo[2.2.2]octane
- IUPAC
- (2R,3R,4R,5R)-2-benzhydryl-5-(diethylaminomethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Names & synonyms
SCHEMBL7517700PBLOHKRSZONQMK-NORCAOOESA-N(2R*,3R*,4R*,5R*)-5-(N,N-Diethylaminomethyl)-3-(2,5-dimethoxybenzylamino)-2-diphenylmethyl-1-azabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 70116643
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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