Basic information
- CAS
42471-69-2- Standard SMILES
COc1cccc(C2(OC)C3CCCC2CN(C)C3)c1- InChIKey
SSAITGREIRMGKA-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane, 9-methoxy-9-(3-methoxyphenyl)-3-methyl-, syn-
- IUPAC
- 9-methoxy-9-(3-methoxyphenyl)-3-methyl-3-azabicyclo[3.3.1]nonane
Names & synonyms
BRN 1478953syn-9-Methoxy-9-(3-methoxyphenyl)-3-methyl-3-azabicyclo(3.3.1)nonane42471-69-25-21-05-00074 (Beilstein Handbook Reference)3-AZABICYCLO(3.3.1)NONANE, 9-METHOXY-9-(3-METHOXYPHENYL)-3-METHYL-, syn-4-beta-Methoxy-4-alpha-(3'-methoxyphenyl)-1-methyl-3-alpha,5-alpha-propanopiperidineRefChem:276779DTXSID609625149-methoxy-9-(3-methoxyphenyl)-3-methyl-3-azabicyclo[3.3.1]nonane
Database identifiers
- CAS
42471-69-2- PubChem CID
- 39215
- DTXSID
DTXSID60962514
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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