2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol

C15H23NO2 — CID 107683344

IUPAC2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
SMILESCNC1CCc2cc(OCCC(C)(C)O)ccc21
InChIInChI=1S/C15H23NO2/c1-15(2,17)8-9-18-12-5-6-13-11(10-12)4-7-14(13)16-3/h5-6,10,14,16-17H,4,7-9H2,1-3H3
InChIKeyVFYUVQRLISCWPH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds5

About 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol

2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol (PubChem CID 107683344) 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-5-yl]oxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
PubChem CID107683344
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
SMILESCNC1CCc2cc(OCCC(C)(C)O)ccc21
InChIInChI=1S/C15H23NO2/c1-15(2,17)8-9-18-12-5-6-13-11(10-12)4-7-14(13)16-3/h5-6,10,14,16-17H,4,7-9H2,1-3H3
InChIKeyVFYUVQRLISCWPH-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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Related Compounds

N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol (CID 107683344) is 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol is CNC1CCc2cc(OCCC(C)(C)O)ccc21.
What is the InChIKey of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol?
The InChIKey is VFYUVQRLISCWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,17)8-9-18-12-5-6-13-11(10-12)4-7-14(13)16-3/h5-6,10,14,16-17H,4,7-9H2,1-3H3.
What are the key properties of 2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol?
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-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-5-yl]oxy]butan-2-ol is sourced from PubChem (CID 107683344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).