chempirical

3-Methoxytyramine

C9H13NO2CAS 554-52-9167.21 g/mol

Open in Covalent MOL file
ONH2HO
EtherPhenolPrimary amine

Properties

Molecular formula
C9H13NO2
Molar mass
167.21 g/mol
Exact mass
167.0946 Da
Melting point
89 °C
logP
0.90Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
554-52-9
SMILES
COc1cc(CCN)ccc1O
InChIKey
DIVQKHQLANKJQO-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 3-Methoxydopamine
  • 4-Hydroxy-3-methoxy-β-phenethylamine
  • 4-Hydroxy-3-methoxyphenylethylamine
  • 3-O-Methyldopamine
  • 4-Hydroxy-3-methoxy-2-phenethylamine
  • β-(4-Hydroxy-3-methoxyphenyl)ethylamine
  • 3-MT
  • 2-(4-Hydroxy-3-methoxyphenyl)ethylamine
  • 3-Methoxy-p-tyramine
  • Phenol, 4-(2-aminoethyl)-2-methoxy-
  • Guaiacol, 4-(2-aminoethyl)-
  • 4-(2-Aminoethyl)-2-methoxyphenol
  • Dopamine, 3-methoxy-
  • Homovanillylamine
  • 3-Methoxy-4-hydroxyphenethylamine
  • 3-Methoxy-4-hydroxyphenylethylamine
  • 4-Hydroxy-3-methoxyphenethylamine
  • Homovanillinamine
  • 2-Methoxy-4-(2-aminoethyl)phenol

Work with 3-Methoxytyramine

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-O-Methyldopamine hydrochloride1477-68-591 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-070 % similar 3,4-Dimethoxyphenethylamine120-20-770 % similar Homovanillyl alcohol2380-78-169 % similar 4-Propylguaiacol2785-87-769 % similar Dihydroconiferyl alcohol2305-13-765 % similar 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-265 % similar 4-Ethylguaiacol2785-89-963 % similar

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

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1 2,5-Dimethoxybenzenemethanamine3275-95-4 2,3-Dimethoxybenzylamine4393-09-3 (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-8

Elsewhere

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