5-(Benzyloxy)tryptamine monohydrochloride

C₁₇H₁₉ClN₂OCAS 52055-23-9302.80 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₇H₁₉ClN₂O
Molar mass: 302.80 g/mol
Exact mass: 302.1186 Da
Melting point: 265 °C
logP: 3.67Crippen estimate
Polar surface area: 51.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52055-23-9

SMILES

Cl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12

InChIKey

IUWVJCIEWSQGHH-UHFFFAOYSA-N

InChI

InChI=1S/C17H18N2O.ClH/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;1H

Weigh it out

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

Names and synonyms

4 names

1H-Indole-3-ethanamine, 5-(phenylmethoxy)-, hydrochloride (1:1)
1H-Indole-3-ethanamine, 5-(phenylmethoxy)-, monohydrochloride
5-Benzyloxytryptamine hydrochloride
2-[5-(Benzyloxy)-1H-indol-3-yl]ethan-1-amine hydrochloride

Work with 5-(Benzyloxy)tryptamine monohydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-(Benzyloxy)tryptamine20776-45-8Free base

Similar compounds

Mexamine66-83-163 % similar 2-[5-(Benzyloxy)-1H-indol-3-yl]acetonitrile2436-15-963 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-061 % similar Tryptamine hydrochloride343-94-258 % similar 5-Benzyloxyindole-3-acetic acid4382-53-058 % similar 5-Methoxytryptamine608-07-157 % similar 5-Methyltryptamine hydrochloride1010-95-355 % similar Serotonin hydrochloride153-98-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine122368-54-1 (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine201594-84-5 Pyronine92-32-0

Elsewhere

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