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

C17H18FNO — CID 60720255

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c18-15-7-4-13(5-8-15)17(20)11-19-16-9-6-12-2-1-3-14(12)10-16/h4-10,17,19-20H,1-3,11H2
InChIKeyKRQFYXBACSAHQK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.46
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol (PubChem CID 60720255) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol
PubChem CID60720255
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c18-15-7-4-13(5-8-15)17(20)11-19-16-9-6-12-2-1-3-14(12)10-16/h4-10,17,19-20H,1-3,11H2
InChIKeyKRQFYXBACSAHQK-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol (CID 60720255) is 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol is OC(CNc1ccc2c(c1)CCC2)c1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol?
The InChIKey is KRQFYXBACSAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-7-4-13(5-8-15)17(20)11-19-16-9-6-12-2-1-3-14(12)10-16/h4-10,17,19-20H,1-3,11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol?
2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol has a molecular weight of 271.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60720255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).