1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol

C15H21NO — CID 115717656

IUPAC1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)C1CCC1
InChIInChI=1S/C15H21NO/c1-10(11-4-2-5-11)16-14-9-8-13-12(14)6-3-7-15(13)17/h3,6-7,10-11,14,16-17H,2,4-5,8-9H2,1H3
InChIKeyMFJXJQFMDCYOIS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.16
Rot. Bonds3

About 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol

1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 115717656) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID115717656
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)C1CCC1
InChIInChI=1S/C15H21NO/c1-10(11-4-2-5-11)16-14-9-8-13-12(14)6-3-7-15(13)17/h3,6-7,10-11,14,16-17H,2,4-5,8-9H2,1H3
InChIKeyMFJXJQFMDCYOIS-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
1-[1-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637115
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636969
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol (CID 115717656) is 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol is CC(NC1CCc2c(O)cccc21)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MFJXJQFMDCYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(11-4-2-5-11)16-14-9-8-13-12(14)6-3-7-15(13)17/h3,6-7,10-11,14,16-17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol?
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 231.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 115717656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).