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

C13H19NO2 — CID 62693908

IUPAC3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCC(C)CNC1COc2cc(O)ccc21
InChIInChI=1S/C13H19NO2/c1-3-9(2)7-14-12-8-16-13-6-10(15)4-5-11(12)13/h4-6,9,12,14-15H,3,7-8H2,1-2H3
InChIKeyXZKFGOKGEWXBHS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.46
Rot. Bonds4

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

3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 62693908) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID62693908
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCC(C)CNC1COc2cc(O)ccc21
InChIInChI=1S/C13H19NO2/c1-3-9(2)7-14-12-8-16-13-6-10(15)4-5-11(12)13/h4-6,9,12,14-15H,3,7-8H2,1-2H3
InChIKeyXZKFGOKGEWXBHS-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 62693908) is 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol is CCC(C)CNC1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is XZKFGOKGEWXBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9(2)7-14-12-8-16-13-6-10(15)4-5-11(12)13/h4-6,9,12,14-15H,3,7-8H2,1-2H3.
What are the key properties of 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 221.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 62693908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).