chempirical

3-Methoxy-4-hydroxyphenylethylamine hydrochloride

C9H14ClNO2CAS 1477-68-5203.67 g/mol

Open in Covalent MOL file
ONH2HOHCl
EtherPhenolPrimary amine

Properties

Molecular formula
C9H14ClNO2
Molar mass
203.67 g/mol
Exact mass
203.0713 Da
Melting point
213–214 °C
logP
1.32Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1477-68-5
SMILES
COc1cc(CCN)ccc1O.Cl
InChIKey
AWRIOTVUTPLWLF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H

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Names and synonyms

10 names
  • 3-O-Methyldopamine hydrochloride
  • Phenol, 4-(2-aminoethyl)-2-methoxy-, hydrochloride (1:1)
  • Phenol, 4-(2-aminoethyl)-2-methoxy-, hydrochloride
  • Guaiacol, 4-(2-aminoethyl)-, hydrochloride
  • 2-Methoxytyramine hydrochloride
  • 4-Hydroxy-3-methoxyphenethylamine hydrochloride
  • 3-Methoxy-4-hydroxyphenethylamine hydrochloride
  • 4-Hydroxy-3-methoxy-β-phenethylamine hydrochloride
  • 4-(2-Aminoethyl)-2-methoxyphenol hydrochloride
  • 2-(4-Hydroxy-3-methoxyphenyl)-ethylamine hydrochloride

Work with 3-Methoxy-4-hydroxyphenylethylamine hydrochloride

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.

3-Methoxytyramine554-52-9Free base

Similar compounds

3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-273 % similar 3,4-Dimethoxyphenethylamine120-20-769 % similar Dopamine hydrochloride62-31-764 % similar Homovanillyl alcohol2380-78-163 % similar 4-Propylguaiacol2785-87-763 % similar Dihydroconiferyl alcohol2305-13-760 % similar 4-Ethylguaiacol2785-89-958 % similar Vanillyl alcohol498-00-058 % similar

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

Same formula

2,4-Dimethoxybenzylamine hydrochloride20781-21-9 D-Tyrosinol hydrochloride40829-04-7 Synephrine hydrochloride5985-28-4 (-)-Phenylephrine hydrochloride61-76-7 Methyldopamine hydrochloride62-32-8 2-(2-Methoxyphenoxy)ethylamine hydrochloride64464-07-9 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-0 4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride87745-27-5

Elsewhere

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