4-Benzylmorpholine-2-carbonitrile

C₁₂H₁₄N₂OCAS 126645-52-1202.26 g/mol

Open in Covalent MOL file

Ether Nitrile Tertiary amine

Properties

Molecular formula: C₁₂H₁₄N₂O
Molar mass: 202.26 g/mol
Exact mass: 202.1106 Da
logP: 1.41Crippen estimate
Polar surface area: 36.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

126645-52-1

SMILES

C1COC(CN1CC2=CC=CC=C2)C#N

InChIKey

NAWYNSSXFPEQKE-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2

Weigh it out

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

Work with 4-Benzylmorpholine-2-carbonitrile

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

1-Benzylpyrrolidine-3-carbonitrile10603-52-856 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-756 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-456 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-556 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-544 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-244 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-444 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-844 % similar

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

Same formula

2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook