2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine

C22H23NO2 — CID 69001274

IUPAC2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine
SMILESc1ccc(C(c2ccc(OCC3CCCN3)cc2)c2ccoc2)cc1
InChIInChI=1S/C22H23NO2/c1-2-5-17(6-3-1)22(19-12-14-24-15-19)18-8-10-21(11-9-18)25-16-20-7-4-13-23-20/h1-3,5-6,8-12,14-15,20,22-23H,4,7,13,16H2
InChIKeyVZZOQINFHIUFQV-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.59
Rot. Bonds6

About 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine

2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine (PubChem CID 69001274) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine
PubChem CID69001274
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine
SMILESc1ccc(C(c2ccc(OCC3CCCN3)cc2)c2ccoc2)cc1
InChIInChI=1S/C22H23NO2/c1-2-5-17(6-3-1)22(19-12-14-24-15-19)18-8-10-21(11-9-18)25-16-20-7-4-13-23-20/h1-3,5-6,8-12,14-15,20,22-23H,4,7,13,16H2
InChIKeyVZZOQINFHIUFQV-UHFFFAOYSA-N
XLogP4.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[phenyl(thiophen-2-yl)methyl]phenoxy]methyl]pyrrolidine;hydrochloride
CID 174553264
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
tert-butyl 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69047628
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
1-phenyl-2-(pyrrolidin-2-ylmethoxy)ethanol
CID 106939448
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine?
The IUPAC name of 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine (CID 69001274) is 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine is c1ccc(C(c2ccc(OCC3CCCN3)cc2)c2ccoc2)cc1.
What is the InChIKey of 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine?
The InChIKey is VZZOQINFHIUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-5-17(6-3-1)22(19-12-14-24-15-19)18-8-10-21(11-9-18)25-16-20-7-4-13-23-20/h1-3,5-6,8-12,14-15,20,22-23H,4,7,13,16H2.
What are the key properties of 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine?
2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine has a molecular weight of 333.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 69001274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).