(2,3-Dimethoxy-benzyl)-[2-(2-fluoro-phenyl)-ethyl]-amine hydrochloride
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Basic information
- CAS
1158288-45-9- Standard SMILES
COc1cccc(CNCCc2ccccc2F)c1OC.Cl- InChIKey
YYPDUWWPWYDSLQ-UHFFFAOYSA-N- Molecular formula
- C17H21ClFNO2
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.1244848
Names & identifiers
- Preferred name
- (2,3-Dimethoxy-benzyl)-[2-(2-fluoro-phenyl)-ethyl]-amine hydrochloride
- IUPAC
- N-[(2,3-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
- English name
- (2,3-DIMETHOXY-BENZYL)-[2-(2-FLUORO-PHENYL)-ETHYL]-AMINE HYDROCHLORIDE
- Molecular formula
- C17H21ClFNO2
- Molecular weight
- 325.81
Names & synonyms
1158288-45-9(2,3-DIMETHOXY-BENZYL)-[2-(2-FLUORO-PHENYL)-ETHYL]-AMINE HYDROCHLORIDEN-(2,3-dimethoxybenzyl)-2-(2-fluorophenyl)ethan-1-amine hydrochlorideN-[(2,3-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine;hydrochlorideDTXSID50589496IWB28845AKOS015849353CS-0367630SR-01000360299SR-01000360299-1N-[(2,3-Dimethoxyphenyl)methyl]-2-(2-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
1158288-45-9- PubChem CID
- 17293261
- DTXSID
DTXSID50589496
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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