1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol

C15H23NO2 — CID 43166218

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO2/c1-2-8-16-10-14(17)11-18-15-7-6-12-4-3-5-13(12)9-15/h6-7,9,14,16-17H,2-5,8,10-11H2,1H3
InChIKeyOETWIFKAXWHDGZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol (PubChem CID 43166218) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
PubChem CID43166218
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO2/c1-2-8-16-10-14(17)11-18-15-7-6-12-4-3-5-13(12)9-15/h6-7,9,14,16-17H,2-5,8,10-11H2,1H3
InChIKeyOETWIFKAXWHDGZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
1-(4-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
CID 63647813
(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
CID 2232033
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 6945119

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol (CID 43166218) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol is CCCNCC(O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol?
The InChIKey is OETWIFKAXWHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-8-16-10-14(17)11-18-15-7-6-12-4-3-5-13(12)9-15/h6-7,9,14,16-17H,2-5,8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43166218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).