2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine

C9H15NO2 — CID 83827113

IUPAC2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCOC(C)(CN)c1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(12-7)9(2,6-10)11-3/h4-5H,6,10H2,1-3H3
InChIKeyRXJIRJUOXIPKAO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.41
Rot. Bonds3

About 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine

2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 83827113) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine
PubChem CID83827113
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCOC(C)(CN)c1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(12-7)9(2,6-10)11-3/h4-5H,6,10H2,1-3H3
InChIKeyRXJIRJUOXIPKAO-UHFFFAOYSA-N
XLogP1.41
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine (CID 83827113) is 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine is COC(C)(CN)c1ccc(C)o1.
What is the InChIKey of 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is RXJIRJUOXIPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-5-8(12-7)9(2,6-10)11-3/h4-5H,6,10H2,1-3H3.
What are the key properties of 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine?
2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 83827113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).