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

C14H21NO2 — CID 79567530

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H21NO2/c1-10(2)17-9-14(16)12-4-5-13-11(8-12)6-7-15(13)3/h4-5,8,10,14,16H,6-7,9H2,1-3H3
InChIKeyLRSKGPMCIPEOIG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

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

1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol (PubChem CID 79567530) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
PubChem CID79567530
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H21NO2/c1-10(2)17-9-14(16)12-4-5-13-11(8-12)6-7-15(13)3/h4-5,8,10,14,16H,6-7,9H2,1-3H3
InChIKeyLRSKGPMCIPEOIG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
CID 103035119
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 103039006
butyl 4-hydroxy-4-(1-methyl-2,3-dihydroindol-5-yl)butanoate
CID 62095628

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol (CID 79567530) is 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol?
The InChIKey is LRSKGPMCIPEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-9-14(16)12-4-5-13-11(8-12)6-7-15(13)3/h4-5,8,10,14,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol?
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79567530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).