3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol

C15H23NO3 — CID 82982217

IUPAC3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCOCCN(CC(C)C)C1COc2cc(O)ccc21
InChIInChI=1S/C15H23NO3/c1-11(2)9-16(6-7-18-3)14-10-19-15-8-12(17)4-5-13(14)15/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyJNPJCMKILAYCOE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds6

About 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82982217) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82982217
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCOCCN(CC(C)C)C1COc2cc(O)ccc21
InChIInChI=1S/C15H23NO3/c1-11(2)9-16(6-7-18-3)14-10-19-15-8-12(17)4-5-13(14)15/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyJNPJCMKILAYCOE-UHFFFAOYSA-N
XLogP2.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(3-methylbutyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82986050
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977660
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978423
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978838
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 105418854
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985858
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 82982217) is 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol is COCCN(CC(C)C)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is JNPJCMKILAYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)9-16(6-7-18-3)14-10-19-15-8-12(17)4-5-13(14)15/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 265.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82982217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).