4-Fluoro-N-methylbenzenemethanamine

C8H10FNCAS 405-66-3139.17 g/mol

Open in Covalent MOL file
NHF
Aryl halideSecondary amine

Properties

Molecular formula
C8H10FN
Molar mass
139.17 g/mol
Exact mass
139.0797 Da
Boiling point
80–82 °C (at 14 Torr)
logP
1.55Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
405-66-3
SMILES
CNCc1ccc(F)cc1
InChIKey
SZJIQLSCDIEJFC-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3

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Names and synonyms

12 names
  • Benzenemethanamine, 4-fluoro-N-methyl-
  • Benzylamine, p-fluoro-N-methyl-
  • 4-Fluoro-N-methylbenzylamine
  • N-(4-Fluorobenzyl)-N-methylamine
  • (4-Fluorobenzyl)methylamine
  • N-Methyl-4-fluorobenzylamine
  • N-(4-Fluorobenzyl)methylamine
  • N-[(4-Fluorophenyl)methyl]-N-methylamine
  • (4-Fluorophenyl)-N-methylmethanamine
  • 1-(4-Fluorophenyl)-N-methylmethanamine
  • [(4-Fluorophenyl)methyl](methyl)amine
  • 1-(4-Fuorophenyl)-N-methylmethanamine

Work with 4-Fluoro-N-methylbenzenemethanamine

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

(3-Fluorobenzyl)methylamine90389-84-761 % similar N-Methylbenzylamine103-67-356 % similar 4-Chloro-N-methylbenzenemethanamine104-11-056 % similar 4-Amino-N-methylbenzenemethanamine38020-69-856 % similar (4-Bromobenzyl)methylamine699-03-656 % similar 2-(4-Fluorobenzylamino)ethanol22116-33-253 % similar N-Methyl-4-pyridinemethanamine6971-44-452 % similar N-Methyl-4-methoxybenzylamine702-24-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorophenethylamine1583-88-6 4-Fluoro-3,5-dimethylaniline1840-27-3 3-Fluoro-4-methylbenzenemethanamine261951-67-1 (4-Fluoro-3-methylphenyl)methanamine261951-68-2 5-Fluoro-2-methylbenzenemethanamine261951-69-3 N-Ethyl-2-fluorobenzenamine2707-64-4 (+)-1-(4-Fluorophenyl)ethylamine374898-01-8 2-Fluoro-N-methylbenzylamine399-30-4

Elsewhere

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