chempirical

(αS)-3-Methoxy-α-methylbenzenemethanamine

C9H13NOCAS 82796-69-8151.21 g/mol

Open in Covalent MOL file
ONH2
EtherPrimary amine

Properties

Molecular formula
C9H13NO
Molar mass
151.21 g/mol
Exact mass
151.0997 Da
logP
1.71Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
82796-69-8
SMILES
COc1cccc([C@H](C)N)c1
InChIKey
CJWGCBRQAHCVHW-ZETCQYMHSA-N
InChI
InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m0/s1

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

Names and synonyms

10 names
  • Benzenemethanamine, 3-methoxy-α-methyl-, (αS)-
  • Benzenemethanamine, 3-methoxy-α-methyl-, (S)-
  • (S)-m-Methoxy-α-phenethylamine
  • (S)-m-Methoxy-α-phenylethylamine
  • (S)-1-(3-Methoxyphenyl)ethylamine
  • [(1S)-1-(3-Methoxyphenyl)ethyl]amine
  • [(S)-(-)-1-(3-Methoxyphenyl)ethyl]amine
  • (S)-1-(3-Methoxyphenyl)ethanamine
  • (1S)-1-(3-Methoxyphenyl)ethanamine
  • (1S)-1-(3-Methoxyphenyl)ethan-1-amine

Work with (αS)-3-Methoxy-α-methylbenzenemethanamine

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-Methoxy-α-methylbenzenemethanamine62409-13-6100 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-7100 % similar (αS)-4-Methoxy-α-methylbenzenemethanamine41851-59-661 % similar 1-(4-Methoxyphenyl)ethylamine6298-96-061 % similar 1,3-Dimethoxybenzene151-10-054 % similar (+)-Phenylethylamine3886-69-950 % similar 1-Phenylethylamine618-36-050 % similar 1-Phenylethylamine98-84-050 % similar

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

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-P-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 Phenylalaninol16088-07-6 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6 (+)-1-(4-Methoxyphenyl)ethylamine22038-86-4 3-(Dimethylamino)benzenemethanol23501-93-1

Elsewhere

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