3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine

C14H19NO2 — CID 178102600

IUPAC3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)C(C1CCN(C)C1)CO2
InChIInChI=1S/C14H19NO2/c1-15-6-5-10(8-15)13-9-17-14-4-3-11(16-2)7-12(13)14/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyUBVWMQRFMAVRDA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds2

About 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine

3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine (PubChem CID 178102600) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
PubChem CID178102600
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)C(C1CCN(C)C1)CO2
InChIInChI=1S/C14H19NO2/c1-15-6-5-10(8-15)13-9-17-14-4-3-11(16-2)7-12(13)14/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyUBVWMQRFMAVRDA-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine
CID 21309100
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-methylpiperidin-4-amine
CID 43775844
(4aR,10bS)-9-methoxy-2,6,6-trimethyl-3,4,4a,10b-tetrahydro-1H-isochromeno[4,3-c]pyridine
CID 22806491
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine?
The IUPAC name of 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine (CID 178102600) is 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine?
The canonical SMILES for 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine is COc1ccc2c(c1)C(C1CCN(C)C1)CO2.
What is the InChIKey of 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine?
The InChIKey is UBVWMQRFMAVRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-6-5-10(8-15)13-9-17-14-4-3-11(16-2)7-12(13)14/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine?
3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine has a molecular weight of 233.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine is sourced from PubChem (CID 178102600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).