Basic information
- CAS
63991-15-1- Standard SMILES
COc1ccc(OC)c(C(O)C(C)N(C)C)c1.Cl- InChIKey
IHKPROKNRABKBI-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Overview
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Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-2-(dimethylamino)propan-1-ol;hydrochloride
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)propan-1-ol;hydrochloride
Database identifiers
- CAS
63991-15-1- PubChem CID
- 92016293
- DTXSID
DTXSID00981805
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
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Compound notes
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