Basic information
- Standard SMILES
COc1cc(C(O)CN)cc(OC)c1OC- InChIKey
BHURFCFBOPXSCN-UHFFFAOYSA-N- Molecular formula
- C11H17NO4
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.11575802
Names & identifiers
- Preferred name
- 2-Amino-1-(3,4,5-trimethoxyphenyl)ethanol
- IUPAC
- 2-amino-1-(3,4,5-trimethoxyphenyl)ethanol
Names & synonyms
2-amino-1-(3,4,5-trimethoxyphenyl)ethanol13079-18-02-amino-1-(3,4,5-trimethoxyphenyl)ethan-1-olSCHEMBL7927945BHURFCFBOPXSCN-UHFFFAOYSA-NCHEBI:125361MFCD00798886SY487117EN300-18523781-(1-hydroxy-2-aminoethyl)-3,4,5-trimethoxy benzeneBRD-A06779035-001-01-7Q27215715
Database identifiers
- PubChem CID
- 28894
- ChEBI
CHEBI:125361
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 188
Related reactions
5 records
Compound notes
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