chempirical

2-Fluorobenzylamine

C7H8FNCAS 89-99-6125.15 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
245–246 °C
Boiling point
73–75 °C (at 13 Torr)
logP
1.28Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
89-99-6
SMILES
NCc1ccccc1F
InChIKey
LRFWYBZWRQWZIM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanamine, 2-fluoro-
  • Benzylamine, o-fluoro-
  • 2-Fluorobenzenemethanamine
  • o-Fluorobenzylamine
  • ((2-Fluorophenyl)methyl)amine
  • NSC 158270
  • (2-Fluorophenyl)methanamine
  • 1-(2-Fluorophenyl)methanamine

Work with 2-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

2,6-Difluorobenzylamine69385-30-456 % similar 2-Fluorobenzyl chloride345-35-754 % similar 2-Fluorobenzyl bromide446-48-054 % similar 2-Fluorobenzyl alcohol446-51-554 % similar [(2-Fluorophenyl)methyl]hydrazine51859-98-454 % similar 2,4-Difluorobenzylamine72235-52-054 % similar 2,5-Difluorobenzenemethanamine85118-06-554 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-250 % 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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