(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol

C11H15NO2 — CID 12051572

IUPAC(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCOc1ccc2c(c1)[C@@H](O)[C@H](N)C2
InChIInChI=1S/C11H15NO2/c1-2-14-8-4-3-7-5-10(12)11(13)9(7)6-8/h3-4,6,10-11,13H,2,5,12H2,1H3/t10-,11-/m1/s1
InChIKeyALANTHSNAAHVHE-GHMZBOCLSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds2

About (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol

(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 12051572) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID12051572
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCOc1ccc2c(c1)[C@@H](O)[C@H](N)C2
InChIInChI=1S/C11H15NO2/c1-2-14-8-4-3-7-5-10(12)11(13)9(7)6-8/h3-4,6,10-11,13H,2,5,12H2,1H3/t10-,11-/m1/s1
InChIKeyALANTHSNAAHVHE-GHMZBOCLSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol (CID 12051572) is (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol is CCOc1ccc2c(c1)[C@@H](O)[C@H](N)C2.
What is the InChIKey of (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ALANTHSNAAHVHE-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-8-4-3-7-5-10(12)11(13)9(7)6-8/h3-4,6,10-11,13H,2,5,12H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol?
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 12051572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).