2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine

C15H21NO2 — CID 104687990

IUPAC2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
SMILESCOc1cc2c(cc1CC1CCCN1)OC(C)C2
InChIInChI=1S/C15H21NO2/c1-10-6-11-8-14(17-2)12(9-15(11)18-10)7-13-4-3-5-16-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyXIFJUOFYHDDEML-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds3

About 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine (PubChem CID 104687990) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
PubChem CID104687990
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
SMILESCOc1cc2c(cc1CC1CCCN1)OC(C)C2
InChIInChI=1S/C15H21NO2/c1-10-6-11-8-14(17-2)12(9-15(11)18-10)7-13-4-3-5-16-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyXIFJUOFYHDDEML-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602786
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 113291945
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
(3R)-3-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]azepan-2-one
CID 97045781
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
CID 115349672
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115349914
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
CID 117495200
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639965

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine (CID 104687990) is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine is COc1cc2c(cc1CC1CCCN1)OC(C)C2.
What is the InChIKey of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The InChIKey is XIFJUOFYHDDEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-11-8-14(17-2)12(9-15(11)18-10)7-13-4-3-5-16-13/h8-10,13,16H,3-7H2,1-2H3.
What are the key properties of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine is sourced from PubChem (CID 104687990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).