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

C14H21NO2 — CID 82977660

IUPAC3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)C(C)N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C14H21NO2/c1-9(2)10(3)15(4)13-8-17-14-7-11(16)5-6-12(13)14/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeyPQNGCYRNVWOWDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.80
Rot. Bonds3

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

3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82977660) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82977660
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)C(C)N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C14H21NO2/c1-9(2)10(3)15(4)13-8-17-14-7-11(16)5-6-12(13)14/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeyPQNGCYRNVWOWDH-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
3-[methyl(3-methylbutyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82986050
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978423
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978838
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 105418854
3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82982217
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 79115818
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 82977660) is 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC(C)C(C)N(C)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is PQNGCYRNVWOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)10(3)15(4)13-8-17-14-7-11(16)5-6-12(13)14/h5-7,9-10,13,16H,8H2,1-4H3.
What are the key properties of 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 235.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82977660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).