1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol

C17H17F2NO — CID 107682182

IUPAC1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-10(17-14(18)3-2-4-15(17)19)20-16-8-5-11-9-12(21)6-7-13(11)16/h2-4,6-7,9-10,16,20-21H,5,8H2,1H3
InChIKeyHWKVXVPRJXQYHZ-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol

1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682182) 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-5-ol.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682182
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-10(17-14(18)3-2-4-15(17)19)20-16-8-5-11-9-12(21)6-7-13(11)16/h2-4,6-7,9-10,16,20-21H,5,8H2,1H3
InChIKeyHWKVXVPRJXQYHZ-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

N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681780

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (CID 107682182) is 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol is CC(NC1CCc2cc(O)ccc21)c1c(F)cccc1F.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is HWKVXVPRJXQYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10(17-14(18)3-2-4-15(17)19)20-16-8-5-11-9-12(21)6-7-13(11)16/h2-4,6-7,9-10,16,20-21H,5,8H2,1H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-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-5-ol is sourced from PubChem (CID 107682182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).