Molecular properties
- Formula
- C20H21FN2O
- Molar mass
- 324.40 g·mol−1
- Exact mass
- 324.1638 Da
- 11
- PubChem CID
- 2771
Molecule record
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
C20H21FN2O
324.40 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether
Nitrile
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 0DHU5B8D6V
- 1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile
- 1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile
- 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
- 261-891-1
- 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-
- 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-
- 59729-33-8
Show all 24 synonyms
- CHEBI:3723
- CHEBI:77397
- Cipram
- Cipramil
- Citadur
- Citalopramum
- Citox
- Cytalopram
- DTXCID802826
- DTXSID8022826
- Lu 10-171
- Lu10171
- N06AB04
- Nitalapram
- RefChem:5691
- citalopram
Structure identifiers
- Canonical SMILES
- CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
- Isomeric SMILES
- CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
- InChI
- InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
- InChIKey
- WSEQXVZVJXJVFP-UHFFFAOYSA-N
- PubChem CID
- 2771
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.