2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol

C14H27NO2 — CID 75372902

IUPAC2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol
SMILESCC1CCCC2CCCN(CCOCCO)C12
InChIInChI=1S/C14H27NO2/c1-12-4-2-5-13-6-3-7-15(14(12)13)8-10-17-11-9-16/h12-14,16H,2-11H2,1H3
InChIKeyDIQSSKRPKSIJJD-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol

2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol (PubChem CID 75372902) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol
PubChem CID75372902
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol
SMILESCC1CCCC2CCCN(CCOCCO)C12
InChIInChI=1S/C14H27NO2/c1-12-4-2-5-13-6-3-7-15(14(12)13)8-10-17-11-9-16/h12-14,16H,2-11H2,1H3
InChIKeyDIQSSKRPKSIJJD-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol (CID 75372902) is 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol is CC1CCCC2CCCN(CCOCCO)C12.
What is the InChIKey of 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol?
The InChIKey is DIQSSKRPKSIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-4-2-5-13-6-3-7-15(14(12)13)8-10-17-11-9-16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol?
2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 75372902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).