2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol

C12H16FNO2 — CID 103376919

IUPAC2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol
SMILESNCC1(OCCO)CCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO2/c13-10-1-2-11-9(7-10)3-4-12(11,8-14)16-6-5-15/h1-2,7,15H,3-6,8,14H2
InChIKeyQNEGOTGRVUPUEL-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.93
Rot. Bonds4

About 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol

2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol (PubChem CID 103376919) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol
PubChem CID103376919
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol
SMILESNCC1(OCCO)CCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO2/c13-10-1-2-11-9(7-10)3-4-12(11,8-14)16-6-5-15/h1-2,7,15H,3-6,8,14H2
InChIKeyQNEGOTGRVUPUEL-UHFFFAOYSA-N
XLogP0.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol?
The IUPAC name of 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol (CID 103376919) is 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol.
What is the SMILES notation for 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol?
The canonical SMILES for 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol is NCC1(OCCO)CCc2cc(F)ccc21.
What is the InChIKey of 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol?
The InChIKey is QNEGOTGRVUPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-1-2-11-9(7-10)3-4-12(11,8-14)16-6-5-15/h1-2,7,15H,3-6,8,14H2.
What are the key properties of 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol?
2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol has a molecular weight of 225.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol is sourced from PubChem (CID 103376919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).