2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

C16H22N2O2 — CID 115843909

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1ccc(C)o1
InChIInChI=1S/C16H22N2O2/c1-10-9-18-13(12(3)16(10)19-5)8-14(17-4)15-7-6-11(2)20-15/h6-7,9,14,17H,8H2,1-5H3
InChIKeyYOAOEUYZWVGYFB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115843909) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115843909
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1ccc(C)o1
InChIInChI=1S/C16H22N2O2/c1-10-9-18-13(12(3)16(10)19-5)8-14(17-4)15-7-6-11(2)20-15/h6-7,9,14,17H,8H2,1-5H3
InChIKeyYOAOEUYZWVGYFB-UHFFFAOYSA-N
XLogP3.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (CID 115843909) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is CNC(Cc1ncc(C)c(OC)c1C)c1ccc(C)o1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is YOAOEUYZWVGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-9-18-13(12(3)16(10)19-5)8-14(17-4)15-7-6-11(2)20-15/h6-7,9,14,17H,8H2,1-5H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115843909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).