chempirical

3-Fluorophenethylamine

C8H10FNCAS 404-70-6139.17 g/mol

Open in Covalent MOL file
FNH2
Aryl halidePrimary amine

Properties

Molecular formula
C8H10FN
Molar mass
139.17 g/mol
Exact mass
139.0797 Da
logP
1.33Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, P501

Identifiers

CAS number
404-70-6
SMILES
C1=CC(=CC(=C1)F)CCN
InChIKey
AUCVZEYHEFAWHO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2

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

Names and synonyms

1 names
  • 2-(3-Fluorophenyl)ethanamine

Work with 3-Fluorophenethylamine

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-Fluorobenzylamine100-82-363 % similar 2-(3-Chlorophenyl)ethylamine13078-79-059 % similar 3-Fluorophenethyl bromide25017-13-459 % similar 3-Fluorophenethyl alcohol52059-53-759 % similar meta-Tyramine588-05-657 % similar 3-Bromophenethylamine58971-11-257 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-056 % similar Benzeneethanamine64-04-056 % 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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