Basic information
- CAS
68397-99-9- Standard SMILES
COc1cccc(C[NH2+]CCc2ccccc2)c1O.[Cl-]- InChIKey
YYZUFYKODAJYFZ-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO2
- Average molar mass
- 293.79 g/mol
- Monoisotopic mass
- 293.1182566
Names & identifiers
- Preferred name
- o-Cresol, 6-methoxy-alpha-(phenethylamino)-, hydrochloride
- IUPAC
- (2-hydroxy-3-methoxyphenyl)methyl-(2-phenylethyl)azanium chloride
Names & synonyms
F 16406-Methoxy-alpha-(phenethylamino)-o-cresol hydrochloride68397-99-9o-CRESOL, 6-METHOXY-alpha-(PHENETHYLAMINO)-, HYDROCHLORIDEPhenol, 2-methoxy-6-(((2-phenylethyl)amino)methyl)-, hydrochlorideRefChem:366420
Database identifiers
- CAS
68397-99-9- PubChem CID
- 50176
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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