chempirical

1-(4-Methoxyphenyl)ethylamine

C9H13NOCAS 6298-96-0151.21 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
Density
1.03 g/mL
Boiling point
125–126 °C (at 16 Torr)
logP
1.71Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6298-96-0
SMILES
COc1ccc(C(C)N)cc1
InChIKey
JTDGKQNNPKXKII-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenemethanamine, 4-methoxy-α-methyl-
  • Benzylamine, p-methoxy-α-methyl-
  • 4-Methoxy-α-methylbenzenemethanamine
  • p-Methoxy-α-phenylethylamine
  • (±)-p-Methoxy-α-methylbenzylamine
  • (±)-α-(p-Methoxyphenyl)ethylamine
  • (±)-p-Methoxy-α-phenylethylamine
  • α-Methyl-p-methoxybenzylamine
  • α-(p-Methoxyphenyl)ethylamine
  • α-Methyl-4-methoxybenzenemethanamine
  • 1-(p-Methoxyphenyl)ethylamine
  • p-Methoxy-α-methylbenzylamine
  • NSC 42442
  • (±)-1-(4-Methoxyphenyl)ethylamine
  • α-Methyl-4-methoxybenzylamine
  • 1-(4-Methoxyphenyl)ethan-1-amine
  • 1-(4-Methoxyphenyl)ethanamine

Work with 1-(4-Methoxyphenyl)ethylamine

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

(αS)-4-Methoxy-α-methylbenzenemethanamine41851-59-6100 % similar 3-Methoxy-α-methylbenzenemethanamine62409-13-661 % similar (αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-861 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-761 % similar 4-Isopropylanisole4132-48-359 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-254 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-654 % similar (S)-1-(4-Methoxyphenyl)ethanol1572-97-053 % 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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