Basic information
- CAS
102585-81-9- Standard SMILES
OC1(c2ccccc2)CC2CCCC(C1)N2CC1COc2ccccc2O1- InChIKey
KTMZFYSWBIJTHZ-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(1,4-benzodioxan-2-ylmethyl)-3-phenyl-
- IUPAC
- 9-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
Names & synonyms
102585-81-99-(1,4-Benzodioxanyl-2-methyl)-3-phenyl-3-granatanol9-AZABICYCLO(3.3.1)NONAN-3-OL, 9-(1,4-BENZODIOXAN-2-YLMETHYL)-3-PHENYL-RefChem:312956DTXSID009078839-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol9-Azabicyclo[3.3.1]nonan-3-ol, 9-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-phenyl-
Database identifiers
- CAS
102585-81-9- PubChem CID
- 59653
- DTXSID
DTXSID00907883- Nikkaji
- J84.596E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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