Basic information
- CAS
303039-36-3- Standard SMILES
CC12CN3CC(C)(CN(C1)C3c1ccccc1F)C2- InChIKey
CXWHYJRLFZZMSH-UHFFFAOYSA-N- Molecular formula
- C16H21FN2
- Average molar mass
- 260.35 g/mol
- Monoisotopic mass
- 260.16887684
Names & identifiers
- Preferred name
- 2-(2-Fluorophenyl)-5,7-dimethyl-1,3-diazaadamantane
- IUPAC
- 2-(2-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
Names & synonyms
303039-36-32-(2-fluorophenyl)-5,7-dimethyl-1,3-diazaadamantane2-(2-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decaneOprea1_296559MLS000767324CHEMBL1728998DTXSID601327348HMS2788A16STL0589002-(2-fluorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decaneAKOS005711730SMR000429655
Show more names
(1r,3r,5r,7r)-2-(2-fluorophenyl)-5,7-dimethyl-1,3-diazaadamantane
Database identifiers
- CAS
303039-36-3- PubChem CID
- 911367
- DTXSID
DTXSID601327348- ChEMBL
CHEMBL1728998
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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