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

C15H21NO2 — CID 114544160

IUPAC3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1(C)CCC(NC2COc3cc(O)ccc32)C1
InChIInChI=1S/C15H21NO2/c1-15(2)6-5-10(8-15)16-13-9-18-14-7-11(17)3-4-12(13)14/h3-4,7,10,13,16-17H,5-6,8-9H2,1-2H3
InChIKeyJXBXVDJUHJNGTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.99
Rot. Bonds2

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

3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 114544160) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID114544160
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1(C)CCC(NC2COc3cc(O)ccc32)C1
InChIInChI=1S/C15H21NO2/c1-15(2)6-5-10(8-15)16-13-9-18-14-7-11(17)3-4-12(13)14/h3-4,7,10,13,16-17H,5-6,8-9H2,1-2H3
InChIKeyJXBXVDJUHJNGTR-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,3-dimethylcyclopentyl)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-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43205194
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
CID 43748903
3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43673932
8-bromo-N-(3,3-dimethylcyclopentyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 114544223
3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43206706
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43748390
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 114544160) is 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC1(C)CCC(NC2COc3cc(O)ccc32)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is JXBXVDJUHJNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)6-5-10(8-15)16-13-9-18-14-7-11(17)3-4-12(13)14/h3-4,7,10,13,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 247.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 114544160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).