4-(3,4-diethoxyphenyl)morpholine

C14H21NO3 — CID 154477521

IUPAC4-(3,4-diethoxyphenyl)morpholine
SMILESCCOc1ccc(N2CCOCC2)cc1OCC
InChIInChI=1S/C14H21NO3/c1-3-17-13-6-5-12(11-14(13)18-4-2)15-7-9-16-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyUSXOQCKSYCPLNT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.32
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)morpholine

4-(3,4-diethoxyphenyl)morpholine (PubChem CID 154477521) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)morpholine.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)morpholine
PubChem CID154477521
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(3,4-diethoxyphenyl)morpholine
SMILESCCOc1ccc(N2CCOCC2)cc1OCC
InChIInChI=1S/C14H21NO3/c1-3-17-13-6-5-12(11-14(13)18-4-2)15-7-9-16-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyUSXOQCKSYCPLNT-UHFFFAOYSA-N
XLogP2.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
CID 130392111
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670
1-(3,4-diethoxyphenyl)-2,5-dimethylpyrrole
CID 43394734
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66542122

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)morpholine?
The IUPAC name of 4-(3,4-diethoxyphenyl)morpholine (CID 154477521) is 4-(3,4-diethoxyphenyl)morpholine.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)morpholine?
The canonical SMILES for 4-(3,4-diethoxyphenyl)morpholine is CCOc1ccc(N2CCOCC2)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)morpholine?
The InChIKey is USXOQCKSYCPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-17-13-6-5-12(11-14(13)18-4-2)15-7-9-16-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(3,4-diethoxyphenyl)morpholine?
4-(3,4-diethoxyphenyl)morpholine has a molecular weight of 251.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)morpholine is sourced from PubChem (CID 154477521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).