4-(3,6-diethoxy-2-nitrophenyl)morpholine

C14H20N2O5 — CID 2825298

IUPAC4-(3,6-diethoxy-2-nitrophenyl)morpholine
SMILESCCOc1ccc(OCC)c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C14H20N2O5/c1-3-20-11-5-6-12(21-4-2)14(16(17)18)13(11)15-7-9-19-10-8-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeySCJFQEFTFQUXIQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds6

About 4-(3,6-diethoxy-2-nitrophenyl)morpholine

4-(3,6-diethoxy-2-nitrophenyl)morpholine (PubChem CID 2825298) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-(3,6-diethoxy-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(3,6-diethoxy-2-nitrophenyl)morpholine
PubChem CID2825298
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-(3,6-diethoxy-2-nitrophenyl)morpholine
SMILESCCOc1ccc(OCC)c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C14H20N2O5/c1-3-20-11-5-6-12(21-4-2)14(16(17)18)13(11)15-7-9-19-10-8-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeySCJFQEFTFQUXIQ-UHFFFAOYSA-N
XLogP2.23
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diethoxy-2-nitrophenyl)morpholine?
The IUPAC name of 4-(3,6-diethoxy-2-nitrophenyl)morpholine (CID 2825298) is 4-(3,6-diethoxy-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(3,6-diethoxy-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(3,6-diethoxy-2-nitrophenyl)morpholine is CCOc1ccc(OCC)c([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of 4-(3,6-diethoxy-2-nitrophenyl)morpholine?
The InChIKey is SCJFQEFTFQUXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-20-11-5-6-12(21-4-2)14(16(17)18)13(11)15-7-9-19-10-8-15/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(3,6-diethoxy-2-nitrophenyl)morpholine?
4-(3,6-diethoxy-2-nitrophenyl)morpholine has a molecular weight of 296.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diethoxy-2-nitrophenyl)morpholine is sourced from PubChem (CID 2825298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).