1-(5-methylfuran-2-yl)ethanamine

C7H11NO — CID 3964808

IUPAC1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)N)o1
InChIInChI=1S/C7H11NO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKeyXEWUTPKFVOPDCL-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.61
Rot. Bonds1

About 1-(5-methylfuran-2-yl)ethanamine

1-(5-methylfuran-2-yl)ethanamine (PubChem CID 3964808) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)ethanamine
PubChem CID3964808
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)N)o1
InChIInChI=1S/C7H11NO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKeyXEWUTPKFVOPDCL-UHFFFAOYSA-N
XLogP1.61
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)ethanamine (CID 3964808) is 1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)N)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is XEWUTPKFVOPDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)ethanamine?
1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 3964808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).