6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

C13H17NO3 — CID 63096895

IUPAC6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCC3CCCO3)ccc21
InChIInChI=1S/C13H17NO3/c14-12-8-17-13-6-9(3-4-11(12)13)16-7-10-2-1-5-15-10/h3-4,6,10,12H,1-2,5,7-8,14H2
InChIKeyADXXKZWFQWYNDZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.64
Rot. Bonds3

About 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096895) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096895
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCC3CCCO3)ccc21
InChIInChI=1S/C13H17NO3/c14-12-8-17-13-6-9(3-4-11(12)13)16-7-10-2-1-5-15-10/h3-4,6,10,12H,1-2,5,7-8,14H2
InChIKeyADXXKZWFQWYNDZ-UHFFFAOYSA-N
XLogP1.64
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
CID 63095489
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63096895) is 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OCC3CCCO3)ccc21.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ADXXKZWFQWYNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-12-8-17-13-6-9(3-4-11(12)13)16-7-10-2-1-5-15-10/h3-4,6,10,12H,1-2,5,7-8,14H2.
What are the key properties of 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 235.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).