3-(2-aminoethyl)-1H-inden-5-ol

C11H13NO — CID 59866718

IUPAC3-(2-aminoethyl)-1H-inden-5-ol
SMILESNCCC1=CCc2ccc(O)cc21
InChIInChI=1S/C11H13NO/c12-6-5-9-2-1-8-3-4-10(13)7-11(8)9/h2-4,7,13H,1,5-6,12H2
InChIKeyRGONPBJLPTZDBD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-aminoethyl)-1H-inden-5-ol

3-(2-aminoethyl)-1H-inden-5-ol (PubChem CID 59866718) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-inden-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-inden-5-ol
PubChem CID59866718
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-aminoethyl)-1H-inden-5-ol
SMILESNCCC1=CCc2ccc(O)cc21
InChIInChI=1S/C11H13NO/c12-6-5-9-2-1-8-3-4-10(13)7-11(8)9/h2-4,7,13H,1,5-6,12H2
InChIKeyRGONPBJLPTZDBD-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-inden-5-ol?
The IUPAC name of 3-(2-aminoethyl)-1H-inden-5-ol (CID 59866718) is 3-(2-aminoethyl)-1H-inden-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1H-inden-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-1H-inden-5-ol is NCCC1=CCc2ccc(O)cc21.
What is the InChIKey of 3-(2-aminoethyl)-1H-inden-5-ol?
The InChIKey is RGONPBJLPTZDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-6-5-9-2-1-8-3-4-10(13)7-11(8)9/h2-4,7,13H,1,5-6,12H2.
What are the key properties of 3-(2-aminoethyl)-1H-inden-5-ol?
3-(2-aminoethyl)-1H-inden-5-ol has a molecular weight of 175.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-inden-5-ol is sourced from PubChem (CID 59866718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).