N-Benzyl-3-(5-fluoro-1H-indol-3-yl)-cyclopentylamine

HCID 22149137

Notes Reactions

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Basic information

Standard SMILES: Fc1ccc2[nH]cc(C3CCC(NCc4ccccc4)C3)c2c1
InChIKey: OZFWAVNDPOPEIK-UHFFFAOYSA-N
Molecular formula: C20H21FN2
Average molar mass: 308.4 g/mol

Names & identifiers

Preferred name: N-Benzyl-3-(5-fluoro-1H-indol-3-yl)-cyclopentylamine
IUPAC: N-benzyl-3-(5-fluoro-1H-indol-3-yl)cyclopentan-1-amine

Names & synonyms

SCHEMBL3884378OZFWAVNDPOPEIK-UHFFFAOYSA-NN-Benzyl-3-(5-fluoro-1H-indol-3-yl)-cyclopentylamineN-Benzyl-[3-(5-fluoro-1H-indol-3-yl)-cyclopentyl]-aminN-Benzyl-[3-(5-fluoro-1H-indol-3-yl)-cyclopentyl]-amine

Database identifiers

PubChem CID: 22149137

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 382

Related reactions

5 records

New reaction record

HRID 698456As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 941306As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1072447As productuspto-grants-2005_06

HRID 1724701As productuspto-grants-2009_02

HRID 1824007As productuspto-grants-2006_05

Compound notes

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