(+)-1-(4-Fluorophenyl)ethylamine

C₈H₁₀FNCAS 374898-01-8139.17 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
Density: 1.052 g/mL (at 25 °C)
logP: 1.85Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed96.6% of notifiers
H314 Causes severe skin burns and eye damage30.2% of notifiers
H315 Causes skin irritation69.8% of notifiers
H317 May cause an allergic skin reaction69.8% of notifiers
H318 Causes serious eye damage69.8% of notifiers
H331 Toxic if inhaled69.8% of notifiers
H411 Toxic to aquatic life with long lasting effects96.6% of notifiers

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

374898-01-8

SMILES

C[C@@H](N)c1ccc(F)cc1

InChIKey

QGCLEUGNYRXBMZ-ZCFIWIBFSA-N

InChI

InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

11 names

Benzenemethanamine, 4-fluoro-α-methyl-, (αR)-
(αR)-4-Fluoro-α-methylbenzenemethanamine
(R)-1-(4-Fluorophenyl)ethylamine
(R)-1-(4-Fluorophenyl)ethanamine
(1R)-1-(4-Fluorophenyl)ethanamine
(1R)-1-(4-Fluorophenyl)ethylamine
(R)-(+)-1-(4-Fluorophenyl)ethylamine
4-Fluoro-α-(R)-methylbenzylamine
(R)-1-(4-Fluorophenyl)ethan-1-amine
(1R)-1-(4-Fluorophenyl)ethan-1-amine
(1R)-(+)-1-(4-Fluorophenyl)ethylamine

Work with (+)-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.

(S)-1-(4-Fluorophenyl)-ethylamine66399-30-2Enantiomer 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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