Basic information
- CAS
21492-67-1- Standard SMILES
COc1ccccc1OC1CCN(CCCC(=O)c2ccc(F)cc2)C1- InChIKey
DBSZFOMWGPKWPJ-UHFFFAOYSA-N- Molecular formula
- C21H24FNO3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.17402179
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-(3-(2-methoxyphenoxy)-1-pyrrolidinyl)-1-butanone
- IUPAC
- 1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one
Names & synonyms
AHR-1900 free base21492-67-1AHR-19001-(4-Fluorophenyl)-4-(3-(2-methoxyphenoxy)-1-pyrrolidinyl)-1-butanoneQT6X2WB634UNII-QT6X2WB6341-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one1-Butanone, 1-(4-fluorophenyl)-4-(3-(2-methoxyphenoxy)-1-pyrrolidinyl)-orb1698654AKOS040750222T29750LAHR-1900 free base, AHR-1900,
Database identifiers
- CAS
21492-67-1- PubChem CID
- 30666
- UNII
- QT6X2WB634
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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