Safinamide

C₁₇H₁₉FN₂O₂CAS 133865-89-1302.35 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine

Properties

Molecular formula: C₁₇H₁₉FN₂O₂
Molar mass: 302.35 g/mol
Exact mass: 302.1431 Da
logP: 3.42Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed90.5% of notifiers
H318 Causes serious eye damage90.5% of notifiers
H400 Very toxic to aquatic life90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, P501

Identifiers

CAS number

133865-89-1

SMILES

C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=N)O

InChIKey

NEMGRZFTLSKBAP-LBPRGKRZSA-N

InChI

InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (S)-
(2S)-2-[[[4-[(3-Fluorophenyl)methoxy]phenyl]methyl]amino]propanamide
FCE 26743
(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide
EMD 1195686
(2S)-2-[[4-[(3-Fluorophenyl)methoxy]phenyl]methylamino]propanamide
(S)-2-[[[4-[(3-Fluorophenyl)methoxy]phenyl]methyl]amino]propanamide

Work with Safinamide

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

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.

Safinamide mesylate202825-46-5Salt

Similar compounds

4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-244 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-537 % similar (3-Fluorobenzyl)methylamine90389-84-735 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-334 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-034 % similar (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-133 % similar 3-Chloro-4-(3-fluorobenzyloxy)aniline202197-26-033 % similar 4-Benzyloxyphenylacetic acid6547-53-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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