2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol

C15H21NO — CID 115106208

IUPAC2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
SMILESOCCC1Cc2ccccc2N1CC1CCC1
InChIInChI=1S/C15H21NO/c17-9-8-14-10-13-6-1-2-7-15(13)16(14)11-12-4-3-5-12/h1-2,6-7,12,14,17H,3-5,8-11H2
InChIKeyAVCOEOBKYRDARR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol

2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol (PubChem CID 115106208) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
PubChem CID115106208
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
SMILESOCCC1Cc2ccccc2N1CC1CCC1
InChIInChI=1S/C15H21NO/c17-9-8-14-10-13-6-1-2-7-15(13)16(14)11-12-4-3-5-12/h1-2,6-7,12,14,17H,3-5,8-11H2
InChIKeyAVCOEOBKYRDARR-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106344
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine
CID 115106288
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentan-1-amine
CID 79570177
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
CID 167159789
(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
CID 159596855
(2S)-1-(piperidin-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 119930985
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol (CID 115106208) is 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol is OCCC1Cc2ccccc2N1CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol?
The InChIKey is AVCOEOBKYRDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-9-8-14-10-13-6-1-2-7-15(13)16(14)11-12-4-3-5-12/h1-2,6-7,12,14,17H,3-5,8-11H2.
What are the key properties of 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol?
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol has a molecular weight of 231.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol is sourced from PubChem (CID 115106208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).