3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H17NO3 — CID 43693108

IUPAC3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(Cc1ccco1)NC1COc2cc(O)ccc21
InChIInChI=1S/C15H17NO3/c1-10(7-12-3-2-6-18-12)16-14-9-19-15-8-11(17)4-5-13(14)15/h2-6,8,10,14,16-17H,7,9H2,1H3
InChIKeyOVKHXXRURQABFY-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43693108) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43693108
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(Cc1ccco1)NC1COc2cc(O)ccc21
InChIInChI=1S/C15H17NO3/c1-10(7-12-3-2-6-18-12)16-14-9-19-15-8-11(17)4-5-13(14)15/h2-6,8,10,14,16-17H,7,9H2,1H3
InChIKeyOVKHXXRURQABFY-UHFFFAOYSA-N
XLogP2.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol with MolForge

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Related Compounds

3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43749158
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-[1-(5-methylthiophen-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61473460
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60945327
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43202630
3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81402485

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 43693108) is 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol is CC(Cc1ccco1)NC1COc2cc(O)ccc21.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is OVKHXXRURQABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(7-12-3-2-6-18-12)16-14-9-19-15-8-11(17)4-5-13(14)15/h2-6,8,10,14,16-17H,7,9H2,1H3.
What are the key properties of 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 259.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43693108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).