chempirical

3-(1-Methylethyl)benzenamine

C9H13NCAS 5369-16-4135.21 g/mol

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NH2
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Density
0.9534 g/mL (at 25 °C)
Boiling point
79–80 °C (at 3 Torr)
logP
2.39Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
5369-16-4
SMILES
CC(C)c1cccc(N)c1
InChIKey
XCCNRBCNYGWTQX-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3

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Names and synonyms

11 names
  • Benzenamine, 3-(1-methylethyl)-
  • Aniline, m-isopropyl-
  • m-Cumidine
  • m-Isopropylaniline
  • 3-Isopropylaniline
  • 3-Cumidine
  • m-Aminocumene
  • 3-Isopropylphenylamine
  • 3-(1-Methylethyl)aniline
  • 3-Isopropylbenzenamine
  • 3-(Propan-2-yl)aniline

Work with 3-(1-Methylethyl)benzenamine

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

1,3-Diisopropylbenzene99-62-765 % similar 3-(1-Hydroxyethyl)aniline2454-37-762 % similar 4-Isopropylaniline99-88-754 % similar M-Phenylenediamine108-45-252 % similar 3-Isopropylphenol618-45-152 % similar Cumene98-82-848 % similar M-Toluidine108-44-146 % similar M-Phenylenediamine hydrochloride541-69-546 % similar

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

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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