Tasimelteon

C₁₅H₁₉NO₂CAS 609799-22-6245.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₉NO₂
Molar mass: 245.32 g/mol
Exact mass: 245.1416 Da
Boiling point: 442.553 °C
logP: 3.09Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H336 May cause drowsiness or dizziness33.3% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

609799-22-6

SMILES

CCC(O)=NC[C@@H]1C[C@H]1c1cccc2c1CCO2

InChIKey

PTOIAAWZLUQTIO-GXFFZTMASA-N

InChI

InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1

Weigh it out

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

Names and synonyms

9 names

Propanamide, N-[[(1R,2R)-2-(2,3-dihydro-4-benzofuranyl)cyclopropyl]methyl]-
N-[[(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropyl]methyl]propanamide
BMS 214778
(1R-Trans)-N-[[2-(2,3-Dihydro-4-benzofuranyl)cyclopropyl]methyl]propanamide
MA 1
VEC 162
N-[[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
Hetlioz
(-)-Tasimelteon

Work with Tasimelteon

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ramelteon196597-26-949 % similar 2,3-Dihydro-4-benzofuranethanol199391-76-934 % similar 4-Ethenyl-2,3-dihydrobenzofuran230642-84-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-9 (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile93413-76-4 Phenylmethyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate93779-31-8

Elsewhere

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