Basic information
- CAS
6605-93-2- Standard SMILES
Cc1ccccc1C(OC1CC2CCCC(C1)N2C)c1ccccc1- InChIKey
BYKNSXWHNLUBNE-UHFFFAOYSA-N- Molecular formula
- C23H29NO
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.22491455
Names & identifiers
- Preferred name
- 9-Methyl-3-((2-methylphenyl)(phenyl)methoxy)-9-azabicyclo(3.3.1)nonane
- IUPAC
- 9-methyl-3-[(2-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Names & synonyms
6605-93-2DTXSID209845159-Methyl-3-((2-methylphenyl)(phenyl)methoxy)-9-azabicyclo(3.3.1)nonane9-Methyl-3-[(2-methylphenyl)(phenyl)methoxy]-9-azabicyclo[3.3.1]nonaneRefChem:1075015DTXCID901411730BRN 15490925-21-01-00301 (Beilstein Handbook Reference)KSD 2119KSD 2291N-Methyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aether [German]N-Methyl-norgranatanol-3-beta-(2-methylbenzhydryl)aether [German]
Show more names
3-alpha-(o-Methyldiphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane3-beta-(o-Methyldiphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane9-AZABICYCLO(3.3.1)NONANE, 3-alpha-(o-METHYLDIPHENYLMETHOXY)-9-METHYL-9-AZABICYCLO(3.3.1)NONANE, 3-beta-(o-METHYLDIPHENYLMETHOXY)-9-METHYL-N-Methyl-norgranatanol-3-beta-(2-methylbenzhydryl)aetherN-Methyl-norgranatanol-3-alpha-(2-methylbenzhydryl)aether6605-94-3
Database identifiers
- CAS
6605-93-2、6605-94-3- PubChem CID
- 23071
- DTXSID
DTXSID20984515
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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