chempirical

1-Phenethylamine

C8H11NCAS 618-36-0121.18 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C8H11N
Molar mass
121.18 g/mol
Exact mass
121.0891 Da
Density
0.9458 g/mL (at 24 °C)
Melting point
32 °C
Boiling point
187 °C
Flash point
79.4 °C
logP
1.71Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
618-36-0
SMILES
CC(N)c1ccccc1
InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

Weigh it out

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

Names and synonyms

31 names · show all
  • 1-Phenylethylamine
  • Benzenemethanamine, α-methyl-
  • Benzylamine, α-methyl-, (±)-
  • Benzenemethanamine, α-methyl-, (±)-
  • Benzylamine, α-methyl-, dl-
  • α-Methylbenzenemethanamine
  • (±)-1-Phenethylamine
  • (±)-α-Phenylethylamine
  • DL-1-Phenylethylamine
  • (±)-α-Methylbenzylamine
  • (±)-1-Phenylethylamine
  • DL-α-Methylbenzylamine
  • Dl-α-Phenylethylamine
  • (±)-1-Amino-1-phenylethane
  • (RS)-α-Methylbenzylamine
  • Dl-α-Phenethylamine
  • (±)-α-Methylbenzenemethanamine
  • (RS)-1-Phenylethylamine
  • (±)-α-Phenethylamine
  • (±)-Phenylethylamine
  • α-Methylbenzylamine
  • α-Phenylethylamine
  • α-Phenethylamine
  • 1-Amino-1-phenylethane
  • Ethanamine, 1-phenyl-
  • 1-Phenylethanamine
  • 1-Phenyl-1-ethanamine
  • (1-Aminoethyl)benzene
  • APEA
  • α-Aminoethylbenzene
  • NSC 8391

Reactions

Work with 1-Phenethylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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)-α-Phenethylamine2627-86-3Defined stereoisomer (R)-α-Phenethylamine3886-69-9Defined stereoisomer 1-Phenylethylamine98-84-0

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar 1-(Pyridin-4-yl)ethan-1-amine50392-78-458 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-356 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-856 % similar 1-(4-Fluorophenyl)ethylamine403-40-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

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