[5-(propan-2-yloxymethyl)furan-2-yl]methanamine

C9H15NO2 — CID 62457675

IUPAC[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCC(C)OCc1ccc(CN)o1
InChIInChI=1S/C9H15NO2/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-4,7H,5-6,10H2,1-2H3
InChIKeyGQOOEIPBAHBARE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.66
Rot. Bonds4

About [5-(propan-2-yloxymethyl)furan-2-yl]methanamine

[5-(propan-2-yloxymethyl)furan-2-yl]methanamine (PubChem CID 62457675) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [5-(propan-2-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
PubChem CID62457675
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCC(C)OCc1ccc(CN)o1
InChIInChI=1S/C9H15NO2/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-4,7H,5-6,10H2,1-2H3
InChIKeyGQOOEIPBAHBARE-UHFFFAOYSA-N
XLogP1.66
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(propan-2-yloxymethyl)furan-2-yl]methanamine (CID 62457675) is [5-(propan-2-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(propan-2-yloxymethyl)furan-2-yl]methanamine is CC(C)OCc1ccc(CN)o1.
What is the InChIKey of [5-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is GQOOEIPBAHBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of [5-(propan-2-yloxymethyl)furan-2-yl]methanamine?
[5-(propan-2-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 169.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62457675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).