Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-5-fluoro-, hydrochloride
Basic information
- CAS
16584-09-1- Standard SMILES
CCN(CCCl)Cc1csc2ccc(F)cc12.Cl- InChIKey
CSLQYDNUPSPJPZ-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2FNS
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.0364542
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-5-fluoro-, hydrochloride
- IUPAC
- 2-chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-5-fluoro-, hydrochloride16584-09-1Benzo(b)thiophene-3-methanamine, N-(2-chloroethyl)-N-ethyl-5-fluoro-, hydrochlorideDTXSID20168035N-(2-Chloroethyl)-N-ethyl-5-fluorobenzo(b)thiophene-3-methylamine hydrochlorideRefChem:326262DTXCID20905262-chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine;hydrochloride2-Chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16584-09-1- PubChem CID
- 204552
- DTXSID
DTXSID20168035
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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