1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol

C17H17F2NO — CID 60945188

IUPAC1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-10(17-13(18)5-3-6-14(17)19)20-15-9-8-12-11(15)4-2-7-16(12)21/h2-7,10,15,20-21H,8-9H2,1H3
InChIKeyWIQWRJKFNSISAD-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol

1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 60945188) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID60945188
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-10(17-13(18)5-3-6-14(17)19)20-15-9-8-12-11(15)4-2-7-16(12)21/h2-7,10,15,20-21H,8-9H2,1H3
InChIKeyWIQWRJKFNSISAD-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 97322188
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
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (CID 60945188) is 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol is CC(NC1CCc2c(O)cccc21)c1c(F)cccc1F.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WIQWRJKFNSISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10(17-13(18)5-3-6-14(17)19)20-15-9-8-12-11(15)4-2-7-16(12)21/h2-7,10,15,20-21H,8-9H2,1H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 289.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 60945188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).