2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine

C14H20N2O5 — CID 102633871

IUPAC2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine
SMILESCOc1cc(COCC2CNCC(C)O2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10-6-15-7-14(21-10)9-20-8-11-3-12(16(17)18)5-13(4-11)19-2/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyZRUFOMBYBQDOCX-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.50
Rot. Bonds6

About 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine

2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine (PubChem CID 102633871) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine
PubChem CID102633871
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine
SMILESCOc1cc(COCC2CNCC(C)O2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10-6-15-7-14(21-10)9-20-8-11-3-12(16(17)18)5-13(4-11)19-2/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyZRUFOMBYBQDOCX-UHFFFAOYSA-N
XLogP1.50
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
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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Related Compounds

3-[(3-methoxy-5-nitrophenyl)methoxy]-4-methylpiperidine
CID 102954203
2-methyl-6-[(4-nitrophenyl)methyl]morpholine
CID 82291579
3-[(3-methoxy-5-nitrophenyl)methylsulfanylmethyl]azetidine
CID 81154861
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
2-methyl-6-[[4-(trifluoromethoxy)phenyl]methoxymethyl]morpholine
CID 102634052
2-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]-6-methylmorpholine
CID 102635311
2-methyl-6-[(5-methylfuran-2-yl)methoxymethyl]morpholine
CID 102633733
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
1-[(3-methoxy-5-nitrophenyl)methyl]-2,5-dimethylpiperazine
CID 81154820
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
CID 80744596
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine (CID 102633871) is 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine is COc1cc(COCC2CNCC(C)O2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine?
The InChIKey is ZRUFOMBYBQDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-6-15-7-14(21-10)9-20-8-11-3-12(16(17)18)5-13(4-11)19-2/h3-5,10,14-15H,6-9H2,1-2H3.
What are the key properties of 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine?
2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine has a molecular weight of 296.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine is sourced from PubChem (CID 102633871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).