chempirical

5-Methyl-2-furanmethanamine

C6H9NOCAS 14003-16-8111.14 g/mol

Open in Covalent MOL file
ONH2
Primary amine

Properties

Molecular formula
C6H9NO
Molar mass
111.14 g/mol
Exact mass
111.0684 Da
logP
1.05Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
14003-16-8
SMILES
CC1=CC=C(O1)CN
InChIKey
YSEAGSCGERFGBL-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3

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Names and synonyms

1 names
  • 5-Methyl-2-furylmethylamine

Work with 5-Methyl-2-furanmethanamine

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

5-Methyl-2-furanmethanol3857-25-856 % similar 2,5-Dimethylfuran625-86-550 % similar 2-Furanmethanamine617-89-038 % similar 2-Methyl-5-(methylthio)furan13678-59-637 % similar 5-Methylfurfural620-02-035 % similar 4-Methylbenzylamine104-84-734 % similar 1-(5-Methyl-2-furanyl)-1-propanone10599-69-634 % similar 2-Acetyl-5-methylfuran1193-79-933 % similar

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

Same formula

1-(Hydroxymethyl)cyclopropaneacetonitrile152922-71-9 Trimethyloxazole20662-84-4 Tetrahydro-2H-pyran-4-carbonitrile4295-99-2 Cyclopentyl isocyanate4747-71-1 3-Amino-2-cyclohexen-1-one5220-49-5 5-Ethenyl-2-pyrrolidinone7529-16-0 2-Acetyl-1-pyrroline85213-22-5 N-Vinylpyrrolidone88-12-0

Elsewhere

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