(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol

C11H16N2O — CID 59952052

IUPAC(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCNc1ccc2c(c1)[C@@H](NC)[C@H](O)C2
InChIInChI=1S/C11H16N2O/c1-12-8-4-3-7-5-10(14)11(13-2)9(7)6-8/h3-4,6,10-14H,5H2,1-2H3/t10-,11-/m1/s1
InChIKeyQTKOADNCILWMBR-GHMZBOCLSA-N
MW192.26 g/mol
LogP0.91
Rot. Bonds2

About (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 59952052) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID59952052
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCNc1ccc2c(c1)[C@@H](NC)[C@H](O)C2
InChIInChI=1S/C11H16N2O/c1-12-8-4-3-7-5-10(14)11(13-2)9(7)6-8/h3-4,6,10-14H,5H2,1-2H3/t10-,11-/m1/s1
InChIKeyQTKOADNCILWMBR-GHMZBOCLSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol (CID 59952052) is (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol is CNc1ccc2c(c1)[C@@H](NC)[C@H](O)C2.
What is the InChIKey of (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is QTKOADNCILWMBR-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-8-4-3-7-5-10(14)11(13-2)9(7)6-8/h3-4,6,10-14H,5H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 192.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,6-bis(methylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59952052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).