1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine

C23H27NO — CID 22274458

IUPAC1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
SMILESCc1ccc(-c2ccc3oc(CCN4CCCC4C)cc3c2)cc1C
InChIInChI=1S/C23H27NO/c1-16-6-7-19(13-17(16)2)20-8-9-23-21(14-20)15-22(25-23)10-12-24-11-4-5-18(24)3/h6-9,13-15,18H,4-5,10-12H2,1-3H3
InChIKeyAFWVNISWIRNOQW-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.74
Rot. Bonds4

About 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine

1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine (PubChem CID 22274458) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
PubChem CID22274458
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
SMILESCc1ccc(-c2ccc3oc(CCN4CCCC4C)cc3c2)cc1C
InChIInChI=1S/C23H27NO/c1-16-6-7-19(13-17(16)2)20-8-9-23-21(14-20)15-22(25-23)10-12-24-11-4-5-18(24)3/h6-9,13-15,18H,4-5,10-12H2,1-3H3
InChIKeyAFWVNISWIRNOQW-UHFFFAOYSA-N
XLogP5.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[5-(3,4-dichlorophenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274451
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
methyl 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzoate
CID 22274633
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
CID 67533472
CID 70819125
CID 70819125
4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 67533834
2,3-dihydroxybutanedioic acid;4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzonitrile
CID 72748659
(E)-N-ethoxy-1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]ethanimine
CID 87435506
(2R,3R)-2,3-dihydroxybutanedioic acid;[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol
CID 11477277
1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 70002987

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine (CID 22274458) is 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine is Cc1ccc(-c2ccc3oc(CCN4CCCC4C)cc3c2)cc1C.
What is the InChIKey of 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The InChIKey is AFWVNISWIRNOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-16-6-7-19(13-17(16)2)20-8-9-23-21(14-20)15-22(25-23)10-12-24-11-4-5-18(24)3/h6-9,13-15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine has a molecular weight of 333.48 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine is sourced from PubChem (CID 22274458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).