Basic information
- CAS
5746-32-7- Standard SMILES
COc1ccc(C(O)CNC(C)C)cc1OC- InChIKey
MVTHUHYTFNDNEO-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- Benzyl alcohol, 3,4-dimethoxy-alpha-((isopropylamino)methyl)-
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol
Names & synonyms
BRN 28090995746-32-73,4-Dimethoxy-alpha-((isopropylamino)methyl)benzyl alcoholVeratryl alcohol, alpha-((isopropylamino)methyl)-Benzenemethanol, 3,4-dimethoxy-alpha-(((1-methylethyl)amino)methyl)-BENZYL ALCOHOL, 3,4-DIMETHOXY-alpha-((ISOPROPYLAMINO)METHYL)-4-13-00-02932 (Beilstein Handbook Reference)RefChem:328544SCHEMBL20852599DTXSID70972942AKOS0120663471-(3,4-Dimethoxyphenyl)-2-[(propan-2-yl)amino]ethan-1-ol
Show more names
benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-3,4-dimethoxy-
Database identifiers
- CAS
5746-32-7- PubChem CID
- 21973
- DTXSID
DTXSID70972942
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…