Basic information
- CAS
68398-03-8- Standard SMILES
COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1O.[Cl-]- InChIKey
IVOKVCABUIWSDU-UHFFFAOYSA-N- Molecular formula
- C16H19BrClNO2
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 371.02877
Names & identifiers
- Preferred name
- F-1670
- IUPAC
- (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-phenylethyl)azanium chloride
Names & synonyms
F 167068398-03-82-Bromo-6-methoxy-alpha-(phenethylamino)-p-cresol hydrochlorideF-1670p-CRESOL, 2-BROMO-6-METHOXY-alpha-(PHENETHYLAMINO)-, HYDROCHLORIDEPhenol, 2-bromo-6-methoxy-4-(((2-phenylethyl)amino)methyl)-, hydrochlorideRefChem:345337
Database identifiers
- CAS
68398-03-8- PubChem CID
- 50180
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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