2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol

C11H15NO2 — CID 130673894

IUPAC2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol
SMILESN[C@H]1CCc2cccc(OCCO)c21
InChIInChI=1S/C11H15NO2/c12-9-5-4-8-2-1-3-10(11(8)9)14-7-6-13/h1-3,9,13H,4-7,12H2/t9-/m0/s1
InChIKeyRVRUESVYOUIQRZ-VIFPVBQESA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds3

About 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol

2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol (PubChem CID 130673894) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol
PubChem CID130673894
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol
SMILESN[C@H]1CCc2cccc(OCCO)c21
InChIInChI=1S/C11H15NO2/c12-9-5-4-8-2-1-3-10(11(8)9)14-7-6-13/h1-3,9,13H,4-7,12H2/t9-/m0/s1
InChIKeyRVRUESVYOUIQRZ-VIFPVBQESA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol?
The IUPAC name of 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol (CID 130673894) is 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol is N[C@H]1CCc2cccc(OCCO)c21.
What is the InChIKey of 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol?
The InChIKey is RVRUESVYOUIQRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c12-9-5-4-8-2-1-3-10(11(8)9)14-7-6-13/h1-3,9,13H,4-7,12H2/t9-/m0/s1.
What are the key properties of 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol?
2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol has a molecular weight of 193.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol is sourced from PubChem (CID 130673894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).