3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol

C16H24N2O2 — CID 105418854

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(CC1(N(C)C)CCC1)C1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-17(2)16(7-4-8-16)11-18(3)14-10-20-15-9-12(19)5-6-13(14)15/h5-6,9,14,19H,4,7-8,10-11H2,1-3H3
InChIKeyCLQLIQLLMCOHGQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds4

About 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 105418854) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID105418854
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(CC1(N(C)C)CCC1)C1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-17(2)16(7-4-8-16)11-18(3)14-10-20-15-9-12(19)5-6-13(14)15/h5-6,9,14,19H,4,7-8,10-11H2,1-3H3
InChIKeyCLQLIQLLMCOHGQ-UHFFFAOYSA-N
XLogP2.24
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977660
3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978423
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978838
3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 79115818
3-[2-methoxyethyl(2-methylpropyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82982217
3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 89014966

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 105418854) is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol is CN(CC1(N(C)C)CCC1)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is CLQLIQLLMCOHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)16(7-4-8-16)11-18(3)14-10-20-15-9-12(19)5-6-13(14)15/h5-6,9,14,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 276.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 105418854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).