chempirical

6-Methoxyharmalan

C13H14N2OCAS 3589-73-9214.27 g/mol

Open in Covalent MOL file
ONHN
EtherImine

Properties

Molecular formula
C13H14N2O
Molar mass
214.27 g/mol
Exact mass
214.1106 Da
Melting point
208–209 °C
logP
2.54Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3589-73-9
SMILES
COc1ccc2[nH]c3c(c2c1)CCN=C3C
InChIKey
HMBHRMFLDKKSCT-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 3H-Pyrido[3,4-b]indole, 4,9-dihydro-6-methoxy-1-methyl-
  • 4,9-Dihydro-6-methoxy-1-methyl-3H-pyrido[3,4-b]indole
  • 6-Methoxy-1-methyl-3,4-dihydro-β-carboline
  • 6-Methoxyharmalane

Work with 6-Methoxyharmalan

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

3H-Pyrido[3,4-B]indole, 4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)6027-98-173 % similar Melatonin73-31-447 % similar 5-Methoxy-2-methylindole-3-acetic acid2882-15-743 % similar 5-Methoxy-2-methylindole-3-acetic acid methyl ester7588-36-543 % similar Agomelatine138112-76-241 % similar 5-Methoxytryptamine608-07-140 % similar Mexamine66-83-138 % similar 5-Methoxytryptophol712-09-437 % similar

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

Same formula

Harmaline304-21-2 Alanine β-naphthylamide720-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook