1-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
Basic information
- Standard SMILES
CNCC1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21- InChIKey
AUWNTFXZAMDCBS-UHFFFAOYSA-N- Molecular formula
- C18H20FNO2S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.11987822
Names & identifiers
- Preferred name
- 1-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
- IUPAC
- 1-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
Names & synonyms
SCHEMBL316484
Database identifiers
- PubChem CID
- 59021815
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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