4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine

C21H28N2O2 — CID 126469345

IUPAC4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
SMILESCC(C)(C)c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)19-7-4-17(5-8-19)18-6-9-20(22-16-18)25-15-12-23-10-13-24-14-11-23/h4-9,16H,10-15H2,1-3H3
InChIKeyQGGBGPSNZKZVAS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds5

About 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine

4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine (PubChem CID 126469345) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
PubChem CID126469345
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
SMILESCC(C)(C)c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)19-7-4-17(5-8-19)18-6-9-20(22-16-18)25-15-12-23-10-13-24-14-11-23/h4-9,16H,10-15H2,1-3H3
InChIKeyQGGBGPSNZKZVAS-UHFFFAOYSA-N
XLogP3.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine (CID 126469345) is 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine is CC(C)(C)c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The InChIKey is QGGBGPSNZKZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)19-7-4-17(5-8-19)18-6-9-20(22-16-18)25-15-12-23-10-13-24-14-11-23/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine has a molecular weight of 340.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 126469345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).