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

C14H21NO2 — CID 79254434

IUPAC1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)C(CO)NC1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO2/c1-9(2)13(8-16)15-12-7-6-11-10(12)4-3-5-14(11)17/h3-5,9,12-13,15-17H,6-8H2,1-2H3
InChIKeySQLBAZFFUVRHKB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

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

1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 79254434) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID79254434
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)C(CO)NC1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO2/c1-9(2)13(8-16)15-12-7-6-11-10(12)4-3-5-14(11)17/h3-5,9,12-13,15-17H,6-8H2,1-2H3
InChIKeySQLBAZFFUVRHKB-UHFFFAOYSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxy-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

Related Compounds

1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[1-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637115
(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 97322188
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636969

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 79254434) is 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is CC(C)C(CO)NC1CCc2c(O)cccc21.
What is the InChIKey of 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SQLBAZFFUVRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)13(8-16)15-12-7-6-11-10(12)4-3-5-14(11)17/h3-5,9,12-13,15-17H,6-8H2,1-2H3.
What are the key properties of 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 79254434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).