2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine--hydrogen chloride (1/1)
Basic information
- CAS
77590-97-7- Standard SMILES
CNCCSC1=Cc2cc(F)ccc2Oc2ccccc21.Cl- InChIKey
FUXWLHPWQQSPAJ-UHFFFAOYSA-N- Molecular formula
- C17H17ClFNOS
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.0703412
Names & identifiers
- Preferred name
- 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine;hydrochloride
Names & synonyms
DTXSID909988062-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
77590-97-7- PubChem CID
- 53700
- DTXSID
DTXSID90998806
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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