1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol

C15H24N2O2 — CID 106145144

IUPAC1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)CC(C)(O)CNC1CCc2c(O)cccc21
InChIInChI=1S/C15H24N2O2/c1-15(19,10-17(2)3)9-16-13-8-7-12-11(13)5-4-6-14(12)18/h4-6,13,16,18-19H,7-10H2,1-3H3
InChIKeyLLEMFNJOJRXTCA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds5

About 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol

1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 106145144) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID106145144
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)CC(C)(O)CNC1CCc2c(O)cccc21
InChIInChI=1S/C15H24N2O2/c1-15(19,10-17(2)3)9-16-13-8-7-12-11(13)5-4-6-14(12)18/h4-6,13,16,18-19H,7-10H2,1-3H3
InChIKeyLLEMFNJOJRXTCA-UHFFFAOYSA-N
XLogP1.28
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 106145144) is 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol is CN(C)CC(C)(O)CNC1CCc2c(O)cccc21.
What is the InChIKey of 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is LLEMFNJOJRXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(19,10-17(2)3)9-16-13-8-7-12-11(13)5-4-6-14(12)18/h4-6,13,16,18-19H,7-10H2,1-3H3.
What are the key properties of 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 106145144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).