2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol

C17H25NO2 — CID 63090133

IUPAC2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol
SMILESCCNC1CCc2c(OC3CCCCC3O)cccc21
InChIInChI=1S/C17H25NO2/c1-2-18-14-11-10-13-12(14)6-5-9-16(13)20-17-8-4-3-7-15(17)19/h5-6,9,14-15,17-19H,2-4,7-8,10-11H2,1H3
InChIKeyUYTOQLPIZBIYHV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds4

About 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol

2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol (PubChem CID 63090133) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol
PubChem CID63090133
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol
SMILESCCNC1CCc2c(OC3CCCCC3O)cccc21
InChIInChI=1S/C17H25NO2/c1-2-18-14-11-10-13-12(14)6-5-9-16(13)20-17-8-4-3-7-15(17)19/h5-6,9,14-15,17-19H,2-4,7-8,10-11H2,1H3
InChIKeyUYTOQLPIZBIYHV-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol (CID 63090133) is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol is CCNC1CCc2c(OC3CCCCC3O)cccc21.
What is the InChIKey of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol?
The InChIKey is UYTOQLPIZBIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18-14-11-10-13-12(14)6-5-9-16(13)20-17-8-4-3-7-15(17)19/h5-6,9,14-15,17-19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol?
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 63090133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).