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

C17H17F2NO — CID 103776797

IUPAC1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
SMILESOC(CNC1Cc2ccccc2C1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c18-13-5-6-15(16(19)9-13)17(21)10-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14,17,20-21H,7-8,10H2
InChIKeyASVAYSVSJUGCMN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.76
Rot. Bonds4

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

1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol (PubChem CID 103776797) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
PubChem CID103776797
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
SMILESOC(CNC1Cc2ccccc2C1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c18-13-5-6-15(16(19)9-13)17(21)10-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14,17,20-21H,7-8,10H2
InChIKeyASVAYSVSJUGCMN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol (CID 103776797) is 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol is OC(CNC1Cc2ccccc2C1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol?
The InChIKey is ASVAYSVSJUGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-13-5-6-15(16(19)9-13)17(21)10-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14,17,20-21H,7-8,10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol has a molecular weight of 289.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol is sourced from PubChem (CID 103776797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).