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

C16H23NO3 — CID 63096050

IUPAC6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCC3CCOC3)ccc21
InChIInChI=1S/C16H23NO3/c1-2-6-17-15-11-20-16-8-13(3-4-14(15)16)19-10-12-5-7-18-9-12/h3-4,8,12,15,17H,2,5-7,9-11H2,1H3
InChIKeyOAJKSLSSMSHUNQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.54
Rot. Bonds6

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

6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096050) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096050
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCC3CCOC3)ccc21
InChIInChI=1S/C16H23NO3/c1-2-6-17-15-11-20-16-8-13(3-4-14(15)16)19-10-12-5-7-18-9-12/h3-4,8,12,15,17H,2,5-7,9-11H2,1H3
InChIKeyOAJKSLSSMSHUNQ-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
CID 63097104
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
CID 63949104
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096227
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 107134417
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 63096050) is 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2cc(OCC3CCOC3)ccc21.
What is the InChIKey of 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OAJKSLSSMSHUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-6-17-15-11-20-16-8-13(3-4-14(15)16)19-10-12-5-7-18-9-12/h3-4,8,12,15,17H,2,5-7,9-11H2,1H3.
What are the key properties of 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 277.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).