chempirical

1,1′-[(4-Methylphenyl)imino]bis[2-propanol]

C13H21NO2CAS 38668-48-3223.32 g/mol

Open in Covalent MOL file
NHOOH
AlcoholTertiary amine

Properties

Molecular formula
C13H21NO2
Molar mass
223.32 g/mol
Exact mass
223.1572 Da
logP
1.56Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
38668-48-3
SMILES
Cc1ccc(N(CC(C)O)CC(C)O)cc1
InChIKey
JFZVSHAMRZPOPA-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Propanol, 1,1′-[(4-methylphenyl)imino]bis-
  • 2-Propanol, 1,1′-(p-tolylimino)di-
  • Diisopropanol-p-toluidine
  • N,N-Bis(2-hydroxypropyl)-p-toluidine
  • N,N-Diisopropanol-p-toluidine
  • N,N-Di(2-hydroxypropyl)-p-toluidine
  • N,N-Bis(2-hydroxypropyl)-4-methylaniline
  • 1-[(2-Hydroxypropyl)(4-methylphenyl)amino]propan-2-ol

Work with 1,1′-[(4-Methylphenyl)imino]bis[2-propanol]

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

N,N-Bis(2-hydroxyethyl)-P-toluidine3077-12-148 % similar N,N-Diethyl-P-toluidine613-48-948 % similar 1-(4-Methylphenyl)piperazine39593-08-344 % similar Tri-P-tolylamine1159-53-141 % similar Triisopropanolamine122-20-341 % similar 1-(4-Methylphenyl)ethanol536-50-539 % similar Dimethylaminoisopropanol108-16-739 % similar Dimethyl-P-toluidine99-97-839 % similar

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

Elsewhere

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