1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]

C20H23NO2 — CID 24782049

IUPAC1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCOC1OC2(CCN(CCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)12-14-21(15-20)13-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyNFJZXOGXNFLZDN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.51
Rot. Bonds4

About 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]

1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 24782049) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID24782049
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCOC1OC2(CCN(CCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)12-14-21(15-20)13-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyNFJZXOGXNFLZDN-UHFFFAOYSA-N
XLogP3.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 24782049) is 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] is COC1OC2(CCN(CCc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is NFJZXOGXNFLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)12-14-21(15-20)13-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]?
1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 309.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1'-(2-phenylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 24782049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).