4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine

C18H22N2O2 — CID 91484041

IUPAC4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
SMILESCc1cccc(-c2cccc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C18H22N2O2/c1-15-4-2-5-16(14-15)17-6-3-7-18(19-17)22-13-10-20-8-11-21-12-9-20/h2-7,14H,8-13H2,1H3
InChIKeyGVLFORYJNDWTAZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.77
Rot. Bonds5

About 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine

4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine (PubChem CID 91484041) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
PubChem CID91484041
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
SMILESCc1cccc(-c2cccc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C18H22N2O2/c1-15-4-2-5-16(14-15)17-6-3-7-18(19-17)22-13-10-20-8-11-21-12-9-20/h2-7,14H,8-13H2,1H3
InChIKeyGVLFORYJNDWTAZ-UHFFFAOYSA-N
XLogP2.77
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine (CID 91484041) is 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine is Cc1cccc(-c2cccc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
The InChIKey is GVLFORYJNDWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-4-2-5-16(14-15)17-6-3-7-18(19-17)22-13-10-20-8-11-21-12-9-20/h2-7,14H,8-13H2,1H3.
What are the key properties of 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine?
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine has a molecular weight of 298.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 91484041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).