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

C15H21NO2 — CID 113291945

IUPAC3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
SMILESCOc1cc2c(cc1CC1CCNC1)OC(C)C2
InChIInChI=1S/C15H21NO2/c1-10-5-12-7-14(17-2)13(8-15(12)18-10)6-11-3-4-16-9-11/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeySPBBYLKFZHBCOL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds3

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

3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine (PubChem CID 113291945) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
PubChem CID113291945
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
SMILESCOc1cc2c(cc1CC1CCNC1)OC(C)C2
InChIInChI=1S/C15H21NO2/c1-10-5-12-7-14(17-2)13(8-15(12)18-10)6-11-3-4-16-9-11/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeySPBBYLKFZHBCOL-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 104687990
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602786
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
CID 115349672
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine (CID 113291945) is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine is COc1cc2c(cc1CC1CCNC1)OC(C)C2.
What is the InChIKey of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
The InChIKey is SPBBYLKFZHBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-5-12-7-14(17-2)13(8-15(12)18-10)6-11-3-4-16-9-11/h7-8,10-11,16H,3-6,9H2,1-2H3.
What are the key properties of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine?
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine is sourced from PubChem (CID 113291945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).