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

C14H22N2O3 — CID 106145519

IUPAC3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(C)CC(C)(O)CNC1COc2cc(O)ccc21
InChIInChI=1S/C14H22N2O3/c1-14(18,9-16(2)3)8-15-12-7-19-13-6-10(17)4-5-11(12)13/h4-6,12,15,17-18H,7-9H2,1-3H3
InChIKeyAEAVKBBLPUAWCV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds5

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

3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 106145519) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID106145519
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(C)CC(C)(O)CNC1COc2cc(O)ccc21
InChIInChI=1S/C14H22N2O3/c1-14(18,9-16(2)3)8-15-12-7-19-13-6-10(17)4-5-11(12)13/h4-6,12,15,17-18H,7-9H2,1-3H3
InChIKeyAEAVKBBLPUAWCV-UHFFFAOYSA-N
XLogP0.73
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-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-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 106145144
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-(3-methylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 63982077
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60923578
3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 65246507
3-(3-ethylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 114247835
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol (CID 106145519) is 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol is CN(C)CC(C)(O)CNC1COc2cc(O)ccc21.
What is the InChIKey of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is AEAVKBBLPUAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(18,9-16(2)3)8-15-12-7-19-13-6-10(17)4-5-11(12)13/h4-6,12,15,17-18H,7-9H2,1-3H3.
What are the key properties of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 266.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 106145519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).