Basic information
- Standard SMILES
CN(CCN1CCCC1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1.Cl.Cl.O.O- InChIKey
LEGNVVFDOVZCSM-UHFFFAOYSA-N- Molecular formula
- C23H40Cl2N2O3
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- 4-adamantyloxy-N-methyl-N-(2-pyrrolidinoethyl)aniline dihydrochloride dihydrate
- IUPAC
- 4-(1-adamantyloxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrate;dihydrochloride
Names & synonyms
SCHEMBL11455224LEGNVVFDOVZCSM-UHFFFAOYSA-N4-adamantyloxy-N-methyl-N-(2-pyrrolidinoethyl)aniline dihydrochloride dihydrate
Database identifiers
- PubChem CID
- 20342199
Properties
Computed structural properties
- Topological polar surface area
- 17.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 437
Related reactions
3 records
Compound notes
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