2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol

C15H23NO2 — CID 79360871

IUPAC2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
SMILESCNC1CCc2c(OCCC(C)(C)O)cccc21
InChIInChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-6-4-5-11-12(14)7-8-13(11)16-3/h4-6,13,16-17H,7-10H2,1-3H3
InChIKeyMYGZXJGPFUOLQV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds5

About 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol

2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol (PubChem CID 79360871) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
PubChem CID79360871
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
SMILESCNC1CCc2c(OCCC(C)(C)O)cccc21
InChIInChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-6-4-5-11-12(14)7-8-13(11)16-3/h4-6,13,16-17H,7-10H2,1-3H3
InChIKeyMYGZXJGPFUOLQV-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol (CID 79360871) is 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol is CNC1CCc2c(OCCC(C)(C)O)cccc21.
What is the InChIKey of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol?
The InChIKey is MYGZXJGPFUOLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-6-4-5-11-12(14)7-8-13(11)16-3/h4-6,13,16-17H,7-10H2,1-3H3.
What are the key properties of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol?
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol is sourced from PubChem (CID 79360871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).