Basic information
- CAS
68398-10-7- Standard SMILES
COc1cc(Br)cc(C[NH2+]C(C)(C)Cc2ccccc2)c1O.[Cl-]- InChIKey
QHMRFHGFAJNPHB-UHFFFAOYSA-N- Molecular formula
- C18H23BrClNO2
- Average molar mass
- 400.7 g/mol
- Monoisotopic mass
- 399.06007
Names & identifiers
- Preferred name
- F-1699
- IUPAC
- (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium chloride
Names & synonyms
F 169968398-10-74-Bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-o-cresol hydrochlorideF-1699o-Cresol, 4-bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-, hydrochloridePhenol, 4-bromo-2-(((1,1-dimethyl-2-phenylethyl)amino)methyl)-6-methoxy-, hydrochlorideRefChem:345340Phenol, 4-bromo-2-(((1,1-dimethyl-2-phenylethyl)amino)methyl)-6-methoxy-, hydrochloride (9CI)
Database identifiers
- CAS
68398-10-7- PubChem CID
- 50186
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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