chempirical

4-Fluoro-N-methylaniline

C7H8FNCAS 459-59-6125.15 g/mol

Open in Covalent MOL file
HNF
Aryl halideSecondary amine

Properties

Molecular formula
C7H8FN
Molar mass
125.15 g/mol
Exact mass
125.0641 Da
Density
1.1057 g/mL (at 23 °C)
Boiling point
79–80 °C (at 10 Torr)
logP
1.87Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
459-59-6
SMILES
CNc1ccc(F)cc1
InChIKey
VLWRKVBQUANIGI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-fluoro-N-methyl-
  • Aniline, p-fluoro-N-methyl-
  • 4-Fluoro-N-methylbenzenamine
  • p-Fluoro-N-methylaniline
  • N-Methyl-4-fluoroaniline
  • N-Methyl-p-fluoroaniline
  • N-(4-Fluorophenyl)methylamine
  • N-(4-Fluorophenyl)-N-methylamine
  • 4-Fluoro-N-methylphenylamine

Work with 4-Fluoro-N-methylaniline

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-Methyl-P-toluidine623-08-552 % similar N-Methylaniline100-61-850 % similar N-Methyl-P-aminophenol150-75-450 % similar 1,4-Difluorobenzene540-36-350 % similar N-Methyl-P-phenylenediamine623-09-650 % similar 4-Fluoro-N-(1-methylethyl)benzenamine70441-63-350 % similar 4-Chloro-N-methylbenzenamine932-96-750 % similar 4-Methoxy-N-methylbenzenamine5961-59-146 % similar

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

Same formula

3-Fluorobenzylamine100-82-3 4-Fluorobenzylamine140-75-0 2-Fluoro-N-methylbenzenamine1978-38-7 5-Fluoro-2-methylaniline367-29-3 3-Fluoro-2-methylaniline443-86-7 4-Fluoro-3-methylaniline452-69-7 4-Fluoro-2-methylaniline452-71-1 3-Fluoro-4-methylaniline452-77-7

Elsewhere

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