Basic information
- CAS
5427-76-9- Standard SMILES
CCN(CC)Cc1cc(C(C)(C)CC)cc(C2CCCCC2)c1O- InChIKey
MCVLAFQTTBBICT-UHFFFAOYSA-N- Molecular formula
- C22H37NO
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.2875148
Names & identifiers
- Preferred name
- 2-Cyclohexyl-6-[(diethylamino)methyl]-4-(2-methylbutan-2-yl)phenol
- IUPAC
- 2-cyclohexyl-6-(diethylaminomethyl)-4-(2-methylbutan-2-yl)phenol
Names & synonyms
5427-76-92-cyclohexyl-6-[(diethylamino)methyl]-4-(2-methylbutan-2-yl)phenolNSC13100SCHEMBL2487277DTXSID50969299NSC-13100
Database identifiers
- CAS
5427-76-9- PubChem CID
- 224545
- DTXSID
DTXSID50969299
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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