chempirical

4-Fluorobenzylamine

C7H8FNCAS 140-75-0125.15 g/mol

Open in Covalent MOL file
H2NF
Aryl halidePrimary amine

Properties

Molecular formula
C7H8FN
Molar mass
125.15 g/mol
Exact mass
125.0641 Da
Melting point
183 °C
Boiling point
75–80 °C (at 35 Torr)
logP
1.28Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
140-75-0
SMILES
NCc1ccc(F)cc1
InChIKey
IIFVWLUQBAIPMJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanamine, 4-fluoro-
  • Benzylamine, p-fluoro-
  • 4-Fluorobenzenemethanamine
  • p-Fluorobenzylamine
  • [(4-Fluorophenyl)methyl]amine
  • (4-Fluorophenyl)methanamine
  • NSC 158269
  • 1-(4-Fluorophenyl)methanamine

Work with 4-Fluorobenzylamine

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

P-Xylylenediamine539-48-067 % similar 4-Fluorophenethylamine1583-88-661 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar 3,5-Difluorobenzylamine90390-27-557 % similar 4-Fluorobenzyl chloride352-11-452 % similar 4-Aminobenzylamine4403-71-852 % similar Benzylamine100-46-950 % similar 4-Methylbenzylamine104-84-750 % similar

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

Same formula

3-Fluorobenzylamine100-82-3 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 2-Fluoro-4-methylaniline452-80-2

Elsewhere

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