2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine

C13H17NO2 — CID 84684744

IUPAC2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
SMILESc1cc2c(cc1OCC1CCCN1)CCO2
InChIInChI=1S/C13H17NO2/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14H,1-2,5-7,9H2
InChIKeyKJFKQMYHDCSHHW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine

2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine (PubChem CID 84684744) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
PubChem CID84684744
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
SMILESc1cc2c(cc1OCC1CCCN1)CCO2
InChIInChI=1S/C13H17NO2/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14H,1-2,5-7,9H2
InChIKeyKJFKQMYHDCSHHW-UHFFFAOYSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidine
CID 84684730
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604004
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine (CID 84684744) is 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine is c1cc2c(cc1OCC1CCCN1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine?
The InChIKey is KJFKQMYHDCSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14H,1-2,5-7,9H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine?
2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine is sourced from PubChem (CID 84684744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).