3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol

C14H19NO3 — CID 54906974

IUPAC3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCCOC1
InChIInChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2
InChIKeyGFTRCJUWRJJOFB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds3

About 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 54906974) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID54906974
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCCOC1
InChIInChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2
InChIKeyGFTRCJUWRJJOFB-UHFFFAOYSA-N
XLogP1.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
CID 83229034
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970
3-(3-methylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 63982077
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 54906974) is 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is GFTRCJUWRJJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2.
What are the key properties of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 249.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 54906974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).