Phenoxyethylamine

C8H11NOCAS 1758-46-9137.18 g/mol

Open in Covalent MOL file
H2NO
EtherPrimary amine

Properties

Molecular formula
C8H11NO
Molar mass
137.18 g/mol
Exact mass
137.0841 Da
Boiling point
104 °C (at 12 Torr)
logP
1.02Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
1758-46-9
SMILES
NCCOc1ccccc1
InChIKey
IMLAIXAZMVDRGA-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2

Weigh it out

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

Names and synonyms

8 names
  • Ethanamine, 2-phenoxy-
  • Ethylamine, 2-phenoxy-
  • 2-Phenoxyethanamine
  • Phenetole, β-amino-
  • 2-Phenoxyethylamine
  • (2-Aminoethoxy)benzene
  • 2-Phenoxyethan-1-amine
  • 2-Phenoxylethylamine

Work with Phenoxyethylamine

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

1,2-Diphenoxyethane104-66-567 % similar 2-(4-Methoxyphenoxy)ethylamine50800-92-559 % similar Phenoxyethanol122-99-654 % similar (2-Bromoethoxy)benzene589-10-654 % similar (2-Chloroethoxy)benzene622-86-654 % similar Ethyl phenyl ether103-73-152 % similar Butyl phenyl ether1126-79-050 % similar 2-(2-Methoxyphenoxy)ethanamine1836-62-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 para-Cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-alpha-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook