N-Benzyl-5-methoxytryptamine

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Basic information

CAS: 25100-31-6
Standard SMILES: COc1ccc2[nH]cc(CCNCc3ccccc3)c2c1
InChIKey: FQRAHCLOFRBKKA-UHFFFAOYSA-N
Molecular formula: C18H20N2O
Average molar mass: 280.4 g/mol
Monoisotopic mass: 280.15756327

Overview

used to prevent habitual abortion associated with increased serotonin production; RN given refers to mono-HCl; structure

Names & identifiers

Preferred name: N-Benzyl-5-methoxytryptamine
IUPAC: N-benzyl-2-(5-methoxy-1H-indol-3-yl)ethanamine

Names & synonyms

N-Benzyl-5-methoxytryptamine25100-31-6DTXSID401797891H-Indole-3-ethanamine, 5-methoxy-N-(phenylmethyl)-, monohydrochlorideRefChem:162944DTXCID50102280CHEMBL58083N-benzyl-2-(5-methoxy-1H-indol-3-yl)ethanamine5-Methoxy-3-ethylamine-N-benzyl hydrochlorideSCHEMBL948317BDBM50038679Benzyl-[2-(5-methoxy-1H-indol-3-yl)-ethyl]-amine

Show more names

N-Benzyl-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine

Database identifiers

CAS: 25100-31-6
PubChem CID: 134909
DTXSID: DTXSID40179789
ChEMBL: CHEMBL58083
Nikkaji: J3.793.722C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 37.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 304

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Compound notes

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