chempirical

3-Methoxybenzylamine

C8H11NOCAS 5071-96-5137.18 g/mol

Open in Covalent MOL file
OH2N
EtherPrimary amine

Properties

Molecular formula
C8H11NO
Molar mass
137.18 g/mol
Exact mass
137.0841 Da
Boiling point
131 °C (at 26 Torr)
logP
1.15Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
5071-96-5
SMILES
COc1cccc(CN)c1
InChIKey
GRRIMVWABNHKBX-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanamine, 3-methoxy-
  • Benzylamine, m-methoxy-
  • 3-Methoxybenzenemethanamine
  • m-Methoxybenzylamine
  • (3-Methoxyphenyl)methanamine
  • [(3-Methoxyphenyl)methyl]amine
  • NSC 162042
  • [[3-(Methyloxy)phenyl]methyl]amine
  • 1-[3-(Methyloxy)phenyl]methanamine
  • 1-(3-Methoxyphenyl)methanamine

Work with 3-Methoxybenzylamine

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-Methoxyphenethylamine2039-67-068 % similar 3-Methoxybenzyl alcohol6971-51-361 % similar 3-Methoxybenzyl chloride824-98-661 % similar 4-Methoxybenzylamine2393-23-959 % similar M-Xylylenediamine1477-55-058 % similar 1,3-Dimethoxybenzene151-10-058 % similar 3-Methoxybenzeneethanol5020-41-758 % similar (3-Methoxyphenyl)acetonitrile19924-43-756 % 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-α-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

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