P 7521
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Basic information
- CAS
92836-37-8- Standard SMILES
COC1(c2cccc(O)c2)C2CCCC1CN(CCc1ccccc1)C2- InChIKey
UXFOUDJIDGKJDT-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- P 7521
- IUPAC
- 3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
- English name
- 3-(9-methoxy-7-phenethyl-7-azabicyclo[3.3.1]non-9-yl)phenol
- Molecular formula
- C23H29NO2
- Molecular weight
- 351.48
Names & synonyms
P 7521P-7521RefChem:16921292836-37-83-(9-Methoxy-3-(2-phenylethyl)-3-azabicyclo(3.3.1)non-9-yl)phenol3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenolMFCD33022304123433-25-0starbld0039785DTXSID609189353-[syn-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
Show more names
3-(9-methoxy-7-phenethyl-7-azabicyclo[3.3.1]non-9-yl)phenol3-[(9-syn)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenolPhenol, 3-[(9-syn)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]non-9-yl]-
Phenol, 3-(9-methoxy-3-(2-phenylethyl)-3-azabicyclo(3.3.1)non-9-yl)-
Database identifiers
- CAS
92836-37-8- PubChem CID
- 146384
- DTXSID
DTXSID60918935
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Boiling point
- 495.9 · 495.9±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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