F-1643
Basic information
- CAS
68398-01-6- Standard SMILES
COc1cccc(C[NH2+]C(C)C(O)c2ccccc2)c1O.[Cl-]- InChIKey
WBDFKFGPKWDYAO-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO3
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.1288213
Names & identifiers
- Preferred name
- F-1643
- IUPAC
- (2-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
Names & synonyms
F 164368398-01-6alpha-(1-((4-Hydroxy-3-methoxybenzyl)amino)ethyl)benzyl alcohol hydrochlorideF-1643Benzenemethanol, alpha-(1-(((4-hydroxy-3-methoxyphenyl)methyl)amino)ethyl)-, hydrochlorideBenzyl alcohol, alpha-(1-((4-hydroxy-3-methoxybenzyl)amino)ethyl)-, hydrochlorideRefChem:345336
Database identifiers
- CAS
68398-01-6- PubChem CID
- 50178
Properties
Computed structural properties
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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