2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol

C20H30N2O — CID 112719775

IUPAC2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
SMILESCC(C)(C)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C20H30N2O/c1-20(2,3)17-6-7-19-18(14-17)16(15-22(19)12-13-23)8-11-21-9-4-5-10-21/h6-7,14-15,23H,4-5,8-13H2,1-3H3
InChIKeyIWSHIWHVUIXRBN-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.57
Rot. Bonds5

About 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol

2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol (PubChem CID 112719775) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
PubChem CID112719775
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
SMILESCC(C)(C)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C20H30N2O/c1-20(2,3)17-6-7-19-18(14-17)16(15-22(19)12-13-23)8-11-21-9-4-5-10-21/h6-7,14-15,23H,4-5,8-13H2,1-3H3
InChIKeyIWSHIWHVUIXRBN-UHFFFAOYSA-N
XLogP3.57
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947640
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
2-(5-tert-butyl-3-methylindol-1-yl)ethanol
CID 83945063
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
CID 117120930
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947820
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The IUPAC name of 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol (CID 112719775) is 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The canonical SMILES for 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol is CC(C)(C)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO.
What is the InChIKey of 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The InChIKey is IWSHIWHVUIXRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-20(2,3)17-6-7-19-18(14-17)16(15-22(19)12-13-23)8-11-21-9-4-5-10-21/h6-7,14-15,23H,4-5,8-13H2,1-3H3.
What are the key properties of 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol is sourced from PubChem (CID 112719775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).