2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol

C17H27NO2 — CID 79086894

IUPAC2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-7-5-13(6-8-14)11-15(19)16-12-18(4)9-10-20-16/h5-8,15-16,19H,9-12H2,1-4H3
InChIKeyNAPDEJZKNPOOSG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol

2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol (PubChem CID 79086894) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
PubChem CID79086894
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-7-5-13(6-8-14)11-15(19)16-12-18(4)9-10-20-16/h5-8,15-16,19H,9-12H2,1-4H3
InChIKeyNAPDEJZKNPOOSG-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol (CID 79086894) is 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol is CN1CCOC(C(O)Cc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The InChIKey is NAPDEJZKNPOOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)14-7-5-13(6-8-14)11-15(19)16-12-18(4)9-10-20-16/h5-8,15-16,19H,9-12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol?
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79086894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).