2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine

C20H23NO2 — CID 11045086

IUPAC2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine
SMILESCc1c(OCC(C)C)ccnc1CCc1cc2ccccc2o1
InChIInChI=1S/C20H23NO2/c1-14(2)13-22-19-10-11-21-18(15(19)3)9-8-17-12-16-6-4-5-7-20(16)23-17/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyQHBMUQSZSKZAPQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.96
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine

2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine (PubChem CID 11045086) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine
PubChem CID11045086
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine
SMILESCc1c(OCC(C)C)ccnc1CCc1cc2ccccc2o1
InChIInChI=1S/C20H23NO2/c1-14(2)13-22-19-10-11-21-18(15(19)3)9-8-17-12-16-6-4-5-7-20(16)23-17/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyQHBMUQSZSKZAPQ-UHFFFAOYSA-N
XLogP4.96
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine (CID 11045086) is 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine is Cc1c(OCC(C)C)ccnc1CCc1cc2ccccc2o1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine?
The InChIKey is QHBMUQSZSKZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)13-22-19-10-11-21-18(15(19)3)9-8-17-12-16-6-4-5-7-20(16)23-17/h4-7,10-12,14H,8-9,13H2,1-3H3.
What are the key properties of 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine?
2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine has a molecular weight of 309.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine is sourced from PubChem (CID 11045086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).