9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-9-phenethyl-
Basic information
- CAS
6606-01-5- Standard SMILES
Cc1ccccc1C(OC1CC2CCCC(C1)N2CCc1ccccc1)c1ccccc1- InChIKey
HHAVPYYSIKDDQA-UHFFFAOYSA-N- Molecular formula
- C30H35NO
- Average molar mass
- 425.6 g/mol
- Monoisotopic mass
- 425.27186474
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-9-phenethyl-
- IUPAC
- 3-[(2-methylphenyl)-phenylmethoxy]-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonane
Names & synonyms
KSD 24546606-01-5BRN 1555962N-Phenethyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aether [German]3-alpha-(o-Methyldiphenylmethoxy)-9-phenethyl-9-azabicyclo(3.3.1)nonane9-AZABICYCLO(3.3.1)NONANE, 3-alpha-(o-METHYLDIPHENYLMETHOXY)-9-PHENETHYL-N-Phenethyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aetherRefChem:312963DTXSID809845313-[(2-Methylphenyl)(phenyl)methoxy]-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonane
Database identifiers
- CAS
6606-01-5- PubChem CID
- 23077
- DTXSID
DTXSID80984531
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 537
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Compound notes
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