3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol

C13H17NO2 — CID 43298363

IUPAC3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCC1
InChIInChI=1S/C13H17NO2/c15-10-4-5-11-12(8-16-13(11)6-10)14-7-9-2-1-3-9/h4-6,9,12,14-15H,1-3,7-8H2
InChIKeyLNIJSZSWBOKBGO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.22
Rot. Bonds3

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

3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43298363) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43298363
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCC1
InChIInChI=1S/C13H17NO2/c15-10-4-5-11-12(8-16-13(11)6-10)14-7-9-2-1-3-9/h4-6,9,12,14-15H,1-3,7-8H2
InChIKeyLNIJSZSWBOKBGO-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
CID 83229034
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(3-methylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 63982077
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 43298363) is 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is LNIJSZSWBOKBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-4-5-11-12(8-16-13(11)6-10)14-7-9-2-1-3-9/h4-6,9,12,14-15H,1-3,7-8H2.
What are the key properties of 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 219.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43298363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).