9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-
Basic information
- CAS
6606-03-7- Standard SMILES
Cc1ccccc1C(OC1CC2CCCC(C1)N2)c1ccccc1- InChIKey
WDNNRZRPBMBVDY-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-
- IUPAC
- 3-[(2-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Names & synonyms
KSD 24166606-03-7BRN 1547600Norgranatanol-3-alpha-(2-methylbenzhydryl)aether [German]3-alpha-(o-Methyldiphenylmethoxy)-9-azabicyclo(3.3.1)-nonane9-AZABICYCLO(3.3.1)NONANE, 3-alpha-(o-METHYLDIPHENYLMETHOXY)-Norgranatanol-3-alpha-(2-methylbenzhydryl)aetherRefChem:312962DTXSID009845333-[(2-Methylphenyl)(phenyl)methoxy]-9-azabicyclo[3.3.1]nonane
Database identifiers
- CAS
6606-03-7- PubChem CID
- 23079
- DTXSID
DTXSID00984533
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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