(S)-1-(4-Fluorophenyl)-ethylamine

C₈H₁₀FNCAS 66399-30-2139.17 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀FN
Molar mass: 139.17 g/mol
Exact mass: 139.0797 Da
logP: 1.85Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H411 Toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

66399-30-2

SMILES

C[C@@H](C1=CC=C(C=C1)F)N

InChIKey

QGCLEUGNYRXBMZ-LURJTMIESA-N

InChI

InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-1-(4-Fluorophenyl)ethylamine

Work with (S)-1-(4-Fluorophenyl)-ethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-1-(4-Fluorophenyl)ethylamine374898-01-8Enantiomer 1-(4-Fluorophenyl)ethylamine403-40-7Stereo not defined

Similar compounds

(R)-1-(3-Fluorophenyl)ethanamine761390-58-361 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (S)-α-Phenethylamine2627-86-356 % similar (R)-α-Phenethylamine3886-69-956 % similar 1-Phenethylamine618-36-056 % similar 1-Phenylethylamine98-84-056 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % 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 2-Fluoro-N-methylbenzylamine399-30-4

Elsewhere

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