3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

C12H17NO2 — CID 82976511

IUPAC3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3
InChIKeyUMDQMVCEXJITAU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.17
Rot. Bonds2

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

3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82976511) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82976511
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3
InChIKeyUMDQMVCEXJITAU-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 82976511) is 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC(C)N(C)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is UMDQMVCEXJITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 207.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).