Indole, 5-benzyloxy-3-(2-(N-ethyl-N-(4'-hydroxybutyl)amino)ethyl)-, hydrochloride

HCID 43285

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Basic information

CAS: 60491-28-3
Standard SMILES: CC[NH+](CCCCO)CCc1c[nH]c2ccc(OCc3ccccc3)cc12.[Cl-]
InChIKey: QLGLBYQEWLAZDG-UHFFFAOYSA-N
Molecular formula: C23H31ClN2O2
Average molar mass: 403 g/mol
Monoisotopic mass: 402.2074059

Names & identifiers

Preferred name: Indole, 5-benzyloxy-3-(2-(N-ethyl-N-(4'-hydroxybutyl)amino)ethyl)-, hydrochloride
IUPAC: ethyl-(4-hydroxybutyl)-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]azanium chloride

Names & synonyms

Indole, 5-benzyloxy-3-(2-(N-ethyl-N-(4'-hydroxybutyl)amino)ethyl)-, hydrochloride60491-28-3RefChem:1087343N-Ethyl-N-(4'-hydroxybutyl)-5-benzyloxytryptamine hydrochlorideCQDD 280

Database identifiers

CAS: 60491-28-3
PubChem CID: 43285

Properties

Computed structural properties

Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 400

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