chempirical

3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline

C11H17NOCAS 91-88-3179.26 g/mol

Open in Covalent MOL file
NHO
AlcoholTertiary amine

Properties

Molecular formula
C11H17NO
Molar mass
179.26 g/mol
Exact mass
179.1310 Da
Boiling point
128–133 °C (at 3 Torr)
logP
1.81Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
91-88-3
SMILES
CCN(CCO)c1cccc(C)c1
InChIKey
KRNUKKZDGDAWBF-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3

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Names and synonyms

11 names
  • Ethanol, 2-[ethyl(3-methylphenyl)amino]-
  • Ethanol, 2-(N-ethyl-m-toluidino)-
  • 2-[Ethyl(3-methylphenyl)amino]ethanol
  • 2-(N-Ethyl-m-toluidino)ethanol
  • N-Ethyl-N-(2-hydroxyethyl)-3-methylaniline
  • N-Ethyl-N-(β-hydroxyethyl)-m-toluidine
  • N-Ethyl-N-(2-hydroxyethyl)-m-toluidine
  • NSC 89746
  • 2-(N-Ethyl-3-methylanilino)ethanol
  • 2-[Ethyl(3-methylphenyl)amino]ethan-1-ol
  • 2-(Ethyl(m-tolyl)amino)ethanol

Work with 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline

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

M-Tolyldiethanolamine91-99-681 % similar N,N-Diethyl-M-toluidine91-67-872 % similar 2-(Ethylphenylamino)ethanol92-50-270 % similar N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-869 % similar 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-965 % similar 3-[Ethyl(3-methylphenyl)amino]propanenitrile148-69-664 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-861 % similar 1-(3-Methylphenyl)piperazine41186-03-253 % similar

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

Same formula

2-(Benzylamino)-2-methylpropan-1-ol10250-27-8 (R)-2-Isopropylamino-2-phenylethanol112211-92-4 Mexiletine31828-71-4 Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-2 N-Methylephedrine552-79-4

Elsewhere

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