Butyrophenone, 4'-fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)-
Basic information
- CAS
101221-63-0- Standard SMILES
CN(CCCC(=O)c1ccc(F)cc1)CN1CCc2c([nH]c3ccccc23)C1- InChIKey
KCWAIWPGRLUYOS-UHFFFAOYSA-N- Molecular formula
- C23H26FN3O
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20599067
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)-
- IUPAC
- 1-(4-fluorophenyl)-4-[methyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)amino]butan-1-one
Names & synonyms
101221-63-0Butyrophenone, 4'-fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)-4'-Fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)butyrophenoneDTXSID00143800RefChem:331433DTXCID50662911-(4-Fluorophenyl)-4-{methyl[(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methyl]amino}butan-1-one
Database identifiers
- CAS
101221-63-0- PubChem CID
- 58216
- DTXSID
DTXSID00143800- Nikkaji
- J77.622J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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