1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol

C16H25NO — CID 43637043

IUPAC1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CCC(C)NC1CCc2c(O)cccc21
InChIInChI=1S/C16H25NO/c1-11(2)7-8-12(3)17-15-10-9-14-13(15)5-4-6-16(14)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyXXYUJTAOEYRXPE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.79
Rot. Bonds5

About 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol

1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637043) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43637043
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CCC(C)NC1CCc2c(O)cccc21
InChIInChI=1S/C16H25NO/c1-11(2)7-8-12(3)17-15-10-9-14-13(15)5-4-6-16(14)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyXXYUJTAOEYRXPE-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922
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
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
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-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol (CID 43637043) is 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol is CC(C)CCC(C)NC1CCc2c(O)cccc21.
What is the InChIKey of 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is XXYUJTAOEYRXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)7-8-12(3)17-15-10-9-14-13(15)5-4-6-16(14)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3.
What are the key properties of 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol?
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).