2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine

C14H16BrNO2 — CID 117494831

IUPAC2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(Br)c2ccoc12
InChIInChI=1S/C14H16BrNO2/c1-14(5-3-6-16-14)10-8-11(17-2)13-9(12(10)15)4-7-18-13/h4,7-8,16H,3,5-6H2,1-2H3
InChIKeyGKLRURDXMDJISW-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.80
Rot. Bonds2

About 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine

2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine (PubChem CID 117494831) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine
PubChem CID117494831
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(Br)c2ccoc12
InChIInChI=1S/C14H16BrNO2/c1-14(5-3-6-16-14)10-8-11(17-2)13-9(12(10)15)4-7-18-13/h4,7-8,16H,3,5-6H2,1-2H3
InChIKeyGKLRURDXMDJISW-UHFFFAOYSA-N
XLogP3.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117452995
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(2-chlorofuran-3-yl)-2-methylpyrrolidine
CID 82655515
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
CID 117495064

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine (CID 117494831) is 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine is COc1cc(C2(C)CCCN2)c(Br)c2ccoc12.
What is the InChIKey of 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine?
The InChIKey is GKLRURDXMDJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-14(5-3-6-16-14)10-8-11(17-2)13-9(12(10)15)4-7-18-13/h4,7-8,16H,3,5-6H2,1-2H3.
What are the key properties of 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine?
2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine has a molecular weight of 310.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine is sourced from PubChem (CID 117494831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).