Basic information
- CAS
17514-79-3- Standard SMILES
Cl.OCCN(Cc1ccccc1)Cc1csc2ccc(F)cc12- InChIKey
OQFRFTWOEXXJHL-UHFFFAOYSA-N- Molecular formula
- C18H19ClFNOS
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.0859913
Names & identifiers
- Preferred name
- Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
- IUPAC
- 2-[benzyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
Names & synonyms
Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride17514-79-3DTXSID201699462-(Benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)ethanol hydrochlorideEthanol, 2-(((5-fluorobenzo(b)thien-3-yl)methyl)(phenylmethyl)amino)-, hydrochlorideRefChem:340887DTXCID20924372-{Benzyl[(5-fluoro-1-benzothiophen-3-yl)methyl]amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
17514-79-3- PubChem CID
- 205152
- DTXSID
DTXSID20169946
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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