6-[(4-tert-Butylphenyl)sulfanyl]-2-(4-fluorophenyl)hexan-1-amine
Basic information
- CAS
770681-72-6- Standard SMILES
CC(C)(C)c1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1- InChIKey
BDZDUXIRXCUNFJ-UHFFFAOYSA-N- Molecular formula
- C22H30FNS
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.2082993
Names & identifiers
- Preferred name
- 6-[(4-tert-Butylphenyl)sulfanyl]-2-(4-fluorophenyl)hexan-1-amine
- IUPAC
- 6-(4-tert-butylphenyl)sulfanyl-2-(4-fluorophenyl)hexan-1-amine
Names & synonyms
CHEMBL558583CHEMBL1196899DTXSID701149458BDBM50281621770681-72-66-[(4-tert-Butylphenyl)sulfanyl]-2-(4-fluorophenyl)hexan-1-amine6-[4-(tert-butyl)phenylsulfanyl]-2-(4-fluorophenyl)-1-hexanamine; with Hydrochloric acidI(2)-[4-[[4-(1,1-Dimethylethyl)phenyl]thio]butyl]-4-fluorobenzeneethanamine
Database identifiers
- CAS
770681-72-6- PubChem CID
- 44375487
- DTXSID
DTXSID701149458- ChEMBL
CHEMBL1196899、CHEMBL558583
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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