chempirical

N,N-Dipropyl-2-methyl-3-nitrophenylethanamine

C15H24N2O2CAS 91374-23-1264.37 g/mol

Open in Covalent MOL file
NN+OO−
NitroTertiary amine

Properties

Molecular formula
C15H24N2O2
Molar mass
264.37 g/mol
Exact mass
264.1838 Da
Boiling point
115–120 °C (at 0.1 Torr)
logP
3.57Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
91374-23-1
SMILES
CCCN(CCC)CCc1cccc([N+](=O)[O-])c1C
InChIKey
YTNVHUSMDIAWLT-UHFFFAOYSA-N
InChI
InChI=1S/C15H24N2O2/c1-4-10-16(11-5-2)12-9-14-7-6-8-15(13(14)3)17(18)19/h6-8H,4-5,9-12H2,1-3H3

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Names and synonyms

3 names
  • 2-Methyl-3-nitro-N,N-dipropylbenzeneethanamine
  • Benzeneethanamine, 2-methyl-3-nitro-N,N-dipropyl-
  • N,N-Dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine

Work with N,N-Dipropyl-2-methyl-3-nitrophenylethanamine

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

2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide91374-22-063 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-360 % similar 2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid hydrochloride91374-25-359 % similar Alpha-Chloro-2-methyl-3-nitrotoluene60468-54-457 % similar 2,6-Dinitrotoluene606-20-254 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-551 % similar 3-Nitro-o-xylene83-41-050 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-148 % similar

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

Same formula

13,14-Didehydromatridin-15-one145572-44-7 Oxymatrine16837-52-8 Amethocaine94-24-6

Elsewhere

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