5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furanmethanamine

C₁₀H₁₈N₂OSCAS 66356-53-4214.33 g/mol

Open in Covalent MOL file

Primary amine Sulfide Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂OS
Molar mass: 214.33 g/mol
Exact mass: 214.1140 Da
Boiling point: 130–137 °C
logP: 1.53Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

66356-53-4

SMILES

CN(C)Cc1ccc(CSCCN)o1

InChIKey

JFGCGQJHMUYGLU-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3

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

Names and synonyms

3 names

2-Furanmethanamine, 5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-
2-[[5-[(Dimethylamino)methyl]-2-furyl]methylsulfanyl]ethanamine
2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine

Work with 5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(Dimethylaminomethyl)-2-furanmethanol hydrochloride81074-81-945 % similar Ranitidine66357-35-545 % similar Ranitidine hydrochloride66357-59-343 % similar 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:?)71130-06-843 % similar 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine175136-76-232 % similar 2,2′-Thiobis[ethanamine]871-76-131 % similar 4-Amino-N,N-dimethylbenzenemethanamine6406-74-230 % similar

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

Elsewhere

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