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

C14H16BrNO2 — CID 117494926

IUPAC2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
SMILESCOc1cc(C2CCCN2)c(Br)c2cc(C)oc12
InChIInChI=1S/C14H16BrNO2/c1-8-6-10-13(15)9(11-4-3-5-16-11)7-12(17-2)14(10)18-8/h6-7,11,16H,3-5H2,1-2H3
InChIKeyIDHRTNNQLXPKLT-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.94
Rot. Bonds2

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

2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine (PubChem CID 117494926) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
PubChem CID117494926
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
SMILESCOc1cc(C2CCCN2)c(Br)c2cc(C)oc12
InChIInChI=1S/C14H16BrNO2/c1-8-6-10-13(15)9(11-4-3-5-16-11)7-12(17-2)14(10)18-8/h6-7,11,16H,3-5H2,1-2H3
InChIKeyIDHRTNNQLXPKLT-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine?
The IUPAC name of 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine (CID 117494926) is 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine is COc1cc(C2CCCN2)c(Br)c2cc(C)oc12.
What is the InChIKey of 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine?
The InChIKey is IDHRTNNQLXPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-8-6-10-13(15)9(11-4-3-5-16-11)7-12(17-2)14(10)18-8/h6-7,11,16H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine?
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine has a molecular weight of 310.19 g/mol, XLogP of 3.94, 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-2-methyl-1-benzofuran-5-yl)pyrrolidine is sourced from PubChem (CID 117494926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).