4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
Properties
- Molecular formula
- C20H24BrFN2O2
- Molar mass
- 423.33 g/mol
- Exact mass
- 422.1005 Da
- logP
- 3.35Crippen estimate
- Polar surface area
- 67.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 7
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
103146-26-5SMILES
Br.CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1COInChIKey
RVGFHORHCHHPCZ-UHFFFAOYSA-NInChI
InChI=1S/C20H23FN2O2.BrH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, hydrobromide (1:1)
- Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrobromide
Work with 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
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(+)-Citalopram128196-01-059 % similar
Citalopram59729-33-859 % similar
Escitalopram oxalate219861-08-255 % similar
4-Cyano-2-fluorobenzyl alcohol219873-06-036 % similar
4-Fluorobenzonitrile1194-02-134 % similar
Chlophedianol hydrochloride511-13-734 % similar
5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-033 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds