Basic information
- CAS
68398-07-2- Standard SMILES
COc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1O.[Cl-]- InChIKey
BBNPJDZYBKTEFQ-UHFFFAOYSA-N- Molecular formula
- C16H19BrClNO2
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 371.02877
Names & identifiers
- Preferred name
- o-Cresol, 4-bromo-6-methoxy-alpha-(phenethylamino)-, hydrochloride
- IUPAC
- (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-phenylethyl)azanium chloride
Names & synonyms
F 169668398-07-24-Bromo-6-methoxy-alpha-(phenethylamino)-o-cresol hydrochlorideo-CRESOL, 4-BROMO-6-METHOXY-alpha-(PHENETHYLAMINO)-, HYDROCHLORIDEPhenol, 4-bromo-2-methoxy-6-(((2-phenylethyl)amino)methyl)-, hydrochlorideRefChem:366402
Database identifiers
- CAS
68398-07-2- PubChem CID
- 50184
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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