chempirical

4-Fluoro-N-(1-methylethyl)benzenamine

C9H12FNCAS 70441-63-3153.20 g/mol

Open in Covalent MOL file
HNF
Aryl halideSecondary amine

Properties

Molecular formula
C9H12FN
Molar mass
153.20 g/mol
Exact mass
153.0954 Da
logP
2.65Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
70441-63-3
SMILES
CC(C)Nc1ccc(F)cc1
InChIKey
RMXBOQCXULAXBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H12FN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3

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Names and synonyms

5 names
  • Benzenamine, 4-fluoro-N-(1-methylethyl)-
  • 4-Fluoro-N-isopropylaniline
  • N-Isopropyl-4-fluoroaniline
  • N-(4-Fluorophenyl)isopropylamine
  • N-(4-Fluorophenyl)-N-isopropylamine

Work with 4-Fluoro-N-(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

N-Isopropylaniline768-52-556 % similar N-Isopropyl-N'-phenyl-1,4-phenylenediamine101-72-454 % similar 4-Fluoro-N-methylaniline459-59-650 % similar 1,4-Difluorobenzene540-36-343 % similar (4-Fluorophenyl)hydrazine hydrochloride823-85-841 % similar N-(4-Fluorophenyl)thiourea459-05-241 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-540 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook