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Compound

2-[(4-Phenylmethoxyphenoxy)methyl]pyrrolidine

HCID 59753003

Notes Reactions

Basic information Names & identifiers Properties Related reactions Compound notes

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Basic information

Standard SMILES: c1ccc(COc2ccc(OCC3CCCN3)cc2)cc1
InChIKey: OLFOWEAWLQDYKR-UHFFFAOYSA-N
Molecular formula: C18H21NO2
Average molar mass: 283.4 g/mol

Names & identifiers

Preferred name: 2-[(4-Phenylmethoxyphenoxy)methyl]pyrrolidine
IUPAC: 2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine

Names & synonyms

SCHEMBL13808918AKOS010952939

Database identifiers

PubChem CID: 59753003

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 283

Related reactions

1 records

New reaction record

HRID 2342222 reaction equation

HRID 2342222As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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2-[(4-Phenylmethoxyphenoxy)methyl]pyrrolidine (HCID 59753003)｜Huagongshe