1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol

C17H17F2NO — CID 60896779

IUPAC1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c18-15-7-5-13(9-16(15)19)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2
InChIKeyFKFJXJITMGQIOS-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.60
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol

1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol (PubChem CID 60896779) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
PubChem CID60896779
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c18-15-7-5-13(9-16(15)19)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2
InChIKeyFKFJXJITMGQIOS-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol (CID 60896779) is 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol is OC(CNc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The InChIKey is FKFJXJITMGQIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-15-7-5-13(9-16(15)19)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol has a molecular weight of 289.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol is sourced from PubChem (CID 60896779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).