2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine

C21H27NO4 — CID 23458425

IUPAC2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine
SMILESCCOc1ccc(C(Oc2ccc(OC)cc2)C2CN(C)CCO2)cc1
InChIInChI=1S/C21H27NO4/c1-4-24-18-7-5-16(6-8-18)21(20-15-22(2)13-14-25-20)26-19-11-9-17(23-3)10-12-19/h5-12,20-21H,4,13-15H2,1-3H3
InChIKeyWEYSAAVCSCIODH-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.54
Rot. Bonds7

About 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine

2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine (PubChem CID 23458425) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine
PubChem CID23458425
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine
SMILESCCOc1ccc(C(Oc2ccc(OC)cc2)C2CN(C)CCO2)cc1
InChIInChI=1S/C21H27NO4/c1-4-24-18-7-5-16(6-8-18)21(20-15-22(2)13-14-25-20)26-19-11-9-17(23-3)10-12-19/h5-12,20-21H,4,13-15H2,1-3H3
InChIKeyWEYSAAVCSCIODH-UHFFFAOYSA-N
XLogP3.54
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine (CID 23458425) is 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine is CCOc1ccc(C(Oc2ccc(OC)cc2)C2CN(C)CCO2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine?
The InChIKey is WEYSAAVCSCIODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-24-18-7-5-16(6-8-18)21(20-15-22(2)13-14-25-20)26-19-11-9-17(23-3)10-12-19/h5-12,20-21H,4,13-15H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine?
2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine has a molecular weight of 357.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine is sourced from PubChem (CID 23458425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).