4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine

C18H20N2O4 — CID 45280881

IUPAC4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine
SMILESO=[N+]([O-])c1cccc(COc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O4/c21-20(22)17-3-1-2-16(12-17)14-24-18-6-4-15(5-7-18)13-19-8-10-23-11-9-19/h1-7,12H,8-11,13-14H2
InChIKeyZFVDPLSZIMGWHW-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.01
Rot. Bonds6

About 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine

4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine (PubChem CID 45280881) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine
PubChem CID45280881
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine
SMILESO=[N+]([O-])c1cccc(COc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O4/c21-20(22)17-3-1-2-16(12-17)14-24-18-6-4-15(5-7-18)13-19-8-10-23-11-9-19/h1-7,12H,8-11,13-14H2
InChIKeyZFVDPLSZIMGWHW-UHFFFAOYSA-N
XLogP3.01
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]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-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine (CID 45280881) is 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine is O=[N+]([O-])c1cccc(COc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine?
The InChIKey is ZFVDPLSZIMGWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-20(22)17-3-1-2-16(12-17)14-24-18-6-4-15(5-7-18)13-19-8-10-23-11-9-19/h1-7,12H,8-11,13-14H2.
What are the key properties of 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine?
4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine has a molecular weight of 328.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]morpholine is sourced from PubChem (CID 45280881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).