Basic information
- CAS
6606-00-4- Standard SMILES
C=CCN1C2CCCC1CC(OC(c1ccccc1)c1ccccc1C)C2- InChIKey
QWTGOIHCGYVNMH-UHFFFAOYSA-N- Molecular formula
- C25H31NO
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.24056461
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 9-allyl-3-alpha-(o-methyldiphenylmethoxy)-
- IUPAC
- 3-[(2-methylphenyl)-phenylmethoxy]-9-prop-2-enyl-9-azabicyclo[3.3.1]nonane
Names & synonyms
KSD 24446606-00-4N-Allyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aether [German]9-Allyl-3-alpha-(o-methyldiphenylmethoxy)-9-azabicyclo(3.3.1)nonane9-AZABICYCLO(3.3.1)NONANE, 9-ALLYL-3-alpha-(o-METHYLDIPHENYLMETHOXY)-9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-9-(2-propen-1-yl)-N-Allyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aetherRefChem:312978DTXSID209845303-[(2-METHYLPHENYL)(PHENYL)METHOXY]-9-(PROP-2-EN-1-YL)-9-AZABICYCLO[3.3.1]NONANE
Database identifiers
- CAS
6606-00-4- PubChem CID
- 23076
- DTXSID
DTXSID20984530
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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