Basic information
- CAS
5414-84-6- Standard SMILES
CCCCCCC(C)c1cc(CN(C)C)c(O)c(CN(C)C)c1- InChIKey
VHBGMDWWCGARTO-UHFFFAOYSA-N- Molecular formula
- C20H36N2O
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.28276378
Names & identifiers
- Preferred name
- 2,6-Bis[(dimethylamino)methyl]-4-(octan-2-yl)phenol
- IUPAC
- 2,6-bis[(dimethylamino)methyl]-4-octan-2-ylphenol
Names & synonyms
5414-84-62,6-bis[(dimethylamino)methyl]-4-(octan-2-yl)phenolNSC10652DTXSID60278925NSC-10652
Database identifiers
- CAS
5414-84-6- PubChem CID
- 223232
- DTXSID
DTXSID60278925
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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