1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol

C15H23NO2 — CID 65047922

IUPAC1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCOCC(NC1CCc2c(O)cccc21)C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)14(9-18-3)16-13-8-7-12-11(13)5-4-6-15(12)17/h4-6,10,13-14,16-17H,7-9H2,1-3H3
InChIKeyBMWGCFWGCAVCIY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol

1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 65047922) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID65047922
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCOCC(NC1CCc2c(O)cccc21)C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)14(9-18-3)16-13-8-7-12-11(13)5-4-6-15(12)17/h4-6,10,13-14,16-17H,7-9H2,1-3H3
InChIKeyBMWGCFWGCAVCIY-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 65047922) is 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is COCC(NC1CCc2c(O)cccc21)C(C)C.
What is the InChIKey of 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BMWGCFWGCAVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)14(9-18-3)16-13-8-7-12-11(13)5-4-6-15(12)17/h4-6,10,13-14,16-17H,7-9H2,1-3H3.
What are the key properties of 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 65047922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).