2-(4-Fluorobenzylamino)ethanol

C₉H₁₂FNOCAS 22116-33-2169.20 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Secondary amine

Properties

Molecular formula: C₉H₁₂FNO
Molar mass: 169.20 g/mol
Exact mass: 169.0903 Da
logP: 0.91Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

22116-33-2

SMILES

C1=CC(=CC=C1CNCCO)F

InChIKey

KWEPMOQQKUYWIN-UHFFFAOYSA-N

InChI

InChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(4-Fluorobenzylamino)ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzylethanolamine104-63-264 % similar 4-Fluorobenzeneethanol7589-27-757 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-353 % similar 3-(Benzylamino)-1-propanol4720-29-053 % similar 4-Fluorobenzyl alcohol459-56-348 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-148 % similar Benzathine140-28-345 % similar 1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine174561-11-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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