6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine

C16H21NO3 — CID 79900430

IUPAC6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OC3CCOC4(CCC4)C3)ccc21
InChIInChI=1S/C16H21NO3/c17-14-10-18-15-8-11(2-3-13(14)15)20-12-4-7-19-16(9-12)5-1-6-16/h2-3,8,12,14H,1,4-7,9-10,17H2
InChIKeyVXKBYWNHPXUUNC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds2

About 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine

6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79900430) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79900430
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OC3CCOC4(CCC4)C3)ccc21
InChIInChI=1S/C16H21NO3/c17-14-10-18-15-8-11(2-3-13(14)15)20-12-4-7-19-16(9-12)5-1-6-16/h2-3,8,12,14H,1,4-7,9-10,17H2
InChIKeyVXKBYWNHPXUUNC-UHFFFAOYSA-N
XLogP2.56
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine (CID 79900430) is 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OC3CCOC4(CCC4)C3)ccc21.
What is the InChIKey of 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VXKBYWNHPXUUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c17-14-10-18-15-8-11(2-3-13(14)15)20-12-4-7-19-16(9-12)5-1-6-16/h2-3,8,12,14H,1,4-7,9-10,17H2.
What are the key properties of 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 275.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79900430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).