1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

C14H21NO — CID 117203210

IUPAC1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CC(C)N2C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3
InChIKeyFOAICHRIQANJKU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds2

About 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 117203210) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
PubChem CID117203210
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CC(C)N2C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3
InChIKeyFOAICHRIQANJKU-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol 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

(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 63541257
2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 117203319
2-(2-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)propan-2-ol
CID 117203549
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanol
CID 135313148
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
CID 117291887
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (CID 117203210) is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is CC(O)c1ccc2c(c1)CC(C)N2C(C)C.
What is the InChIKey of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is FOAICHRIQANJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)15-10(3)7-13-8-12(11(4)16)5-6-14(13)15/h5-6,8-11,16H,7H2,1-4H3.
What are the key properties of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 117203210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).