1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol

C17H18FNO — CID 107684984

IUPAC1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1ccccc1F)C1CCc2cc(O)ccc21
InChIInChI=1S/C17H18FNO/c1-2-19(17-6-4-3-5-15(17)18)16-10-7-12-11-13(20)8-9-14(12)16/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyXGAQPSPYHJPEKE-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.05
Rot. Bonds3

About 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol

1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684984) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107684984
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCCN(c1ccccc1F)C1CCc2cc(O)ccc21
InChIInChI=1S/C17H18FNO/c1-2-19(17-6-4-3-5-15(17)18)16-10-7-12-11-13(20)8-9-14(12)16/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyXGAQPSPYHJPEKE-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684917
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684963
1-(N-ethyl-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684988
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol (CID 107684984) is 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol is CCN(c1ccccc1F)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XGAQPSPYHJPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-19(17-6-4-3-5-15(17)18)16-10-7-12-11-13(20)8-9-14(12)16/h3-6,8-9,11,16,20H,2,7,10H2,1H3.
What are the key properties of 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol?
1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 271.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-2-fluoroanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).