2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol

C13H19NO — CID 65042828

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C13H19NO/c1-9(2)13(3,15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyWHEKIPGDKWKZFM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol

2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol (PubChem CID 65042828) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
PubChem CID65042828
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C13H19NO/c1-9(2)13(3,15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyWHEKIPGDKWKZFM-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-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

2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
CID 65042584
2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
CID 80558775
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 115401133
1-(2,3-dihydro-1H-indol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124612
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 66001292
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole
CID 132938951
1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 66038474

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol (CID 65042828) is 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol is CC(C)C(C)(O)C1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol?
The InChIKey is WHEKIPGDKWKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)13(3,15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14-15H,8H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol?
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 65042828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).