Basic information
- CAS
78168-92-0- Standard SMILES
C[C@H](O)[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1- InChIKey
KFSXLIJSXOJBCB-HZMBPMFUSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- Filenadol
- IUPAC
- (1R,2S)-1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
- English name
- Filenadol
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.31
Names & synonyms
Filenadol78168-92-0FilenadolumYFT8T83CF9DTXSID6010246231-(3',4'-methylenedioxyphenyl)-1-morpholinopropan-2-olRefChem:140434DTXCID601508809d,l-erythro-1-(3',4'-methylenedioxyphenyl)-1-morpholinopropan-2-olFilenadol [INN](1R,2S)-1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-olFI-2024
Show more names
4-Morpholineethanol, β-1,3-benzodioxol-5-yl-α-methyl-, (αR,βS)-rel-
Filenadolum [INN-Latin]UNII-YFT8T83CF9d,l-erythro-1-(3,4-Methylenedioxyphenyl)-1-morpholinopropan-2-ol(+-)-erythro-alpha-Methyl-beta(3,4-(methylenedioxy)phenyl)-4-morpholineethanol(R*,S*)-(+-)-beta-1,3-Benzodioxol-5-yl-alpha-methyl-4-morpholineethanolSCHEMBL220139(+-)-erythro-alpha-Methyl-beta-(3,4-(methylenedioxy)phenyl)-4-morpholineethanol4-Morpholineethanol, beta-1,3-benzodioxol-5-yl-alpha-methyl-, (R*,S*)-(+-)-
Database identifiers
- CAS
78168-92-0- PubChem CID
- 71224
- DTXSID
DTXSID601024623- ChEMBL
CHEMBL2104364- UNII
- YFT8T83CF9
- Nikkaji
- J682.935J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 397.8 · 397.8±42.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.20(Predicted)
- FDA UNII
- 8 T83CF9 · YFT8T83CF9
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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