chempirical

3-Ethylaniline

C8H11NCAS 587-02-0121.18 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C8H11N
Molar mass
121.18 g/mol
Exact mass
121.0891 Da
Melting point
−64 °C
Boiling point
214 °C
logP
1.83Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
587-02-0
SMILES
CCc1cccc(N)c1
InChIKey
AMKPQMFZCBTTAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 3-ethyl-
  • Aniline, m-ethyl-
  • 3-Ethylbenzenamine
  • m-Ethylaniline
  • 3-Ethylphenylamine

Work with 3-Ethylaniline

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

1,3-Diethylbenzene141-93-565 % similar 3-Aminobenzylamine4403-70-759 % similar 3-Aminobenzyl alcohol1877-77-657 % similar 3-Amino-N-methylbenzenemethanamine18759-96-157 % similar 4-Ethylaniline589-16-254 % similar 1-Ethyl-3-methylbenzene620-14-454 % similar M-Phenylenediamine108-45-252 % similar 1-Bromo-3-ethylbenzene2725-82-852 % similar

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

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook