chempirical

5-(Benzyloxy)tryptamine

C17H18N2OCAS 20776-45-8266.34 g/mol

Open in Covalent MOL file
NH2HNO
EtherPrimary amine

Properties

Molecular formula
C17H18N2O
Molar mass
266.34 g/mol
Exact mass
266.1419 Da
Melting point
248–250 °C
logP
3.25Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
20776-45-8
SMILES
NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole-3-ethanamine, 5-(phenylmethoxy)-
  • Indole, 3-(2-aminoethyl)-5-(benzyloxy)-
  • 5-(Phenylmethoxy)-1H-indole-3-ethanamine
  • Ba 2810
  • O-Benzylserotonin
  • 5-Benzyloxy-1H-indole-3-ethanamine
  • 2-[5-(Benzyloxy)-1H-indol-3-yl]ethan-1-amine
  • 2-(5-Phenylmethoxy-1H-indol-3-yl)ethanamine
  • 2-(5-Benzyloxy-1H-indol-3-yl)-ethylamine

Work with 5-(Benzyloxy)tryptamine

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-(Benzyloxy)tryptamine monohydrochloride52055-23-993 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-065 % similar 5-Methoxytryptamine608-07-160 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-657 % similar 5-(Phenylmethoxy)tryptophan6383-70-657 % similar Mexamine66-83-157 % similar Tryptamine61-54-155 % similar 5-Methyltryptamine1821-47-252 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook