5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine

C₁₂H₁₆N₂OCAS 16620-52-3204.27 g/mol

Open in Covalent MOL file

Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O
Molar mass: 204.27 g/mol
Exact mass: 204.1263 Da
Melting point: 127.5–128 °C
logP: 2.24Crippen estimate
Polar surface area: 28.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

16620-52-3

SMILES

COc1ccc2[nH]cc(CN(C)C)c2c1

InChIKey

GOERTRUXQHDLHC-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

1H-Indole-3-methanamine, 5-methoxy-N,N-dimethyl-
5-Methoxygramine
NSC 88885
3-Dimethylaminomethyl-5-methoxyindole
5-Methoxy-3-(dimethylaminomethyl)indole
[(5-Methoxy-1H-indol-3-yl)methyl]dimethylamine
1-(5-Methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
Indole, 3-[(dimethylamino)methyl]-5-methoxy-

Work with 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine

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

5-Methoxy-N,N-dimethyltryptamine1019-45-076 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-064 % similar 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-863 % similar 5-Methoxytryptamine608-07-163 % similar 5-Methoxytryptophol712-09-463 % similar 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-160 % similar 5-Methoxy-N,N-diisopropyltryptamine4021-34-559 % similar Mexamine66-83-158 % similar

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

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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