2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine

C13H18N2O4 — CID 102634814

IUPAC2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
SMILESCc1ccc([N+](=O)[O-])c(OCC2CNCC(C)O2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-12(15(16)17)13(5-9)18-8-11-7-14-6-10(2)19-11/h3-5,10-11,14H,6-8H2,1-2H3
InChIKeyNYKROSVNZKHBFB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine

2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine (PubChem CID 102634814) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
PubChem CID102634814
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
SMILESCc1ccc([N+](=O)[O-])c(OCC2CNCC(C)O2)c1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-12(15(16)17)13(5-9)18-8-11-7-14-6-10(2)19-11/h3-5,10-11,14H,6-8H2,1-2H3
InChIKeyNYKROSVNZKHBFB-UHFFFAOYSA-N
XLogP1.66
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
CID 102635015
3-[(6-methylmorpholin-2-yl)methoxy]-2-nitrobenzonitrile
CID 102635172
2-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]-6-methylmorpholine
CID 102635311
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
CID 102634942
2-methyl-6-[(5-methyl-2-pyridinyl)oxymethyl]morpholine
CID 102635037
5-[(5-methyl-2-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576465
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
CID 102635252
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
2-[(2-bromophenoxy)methyl]-6-methylmorpholine
CID 82307606
4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 2995300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine?
The IUPAC name of 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine (CID 102634814) is 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine.
What is the SMILES notation for 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine?
The canonical SMILES for 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine is Cc1ccc([N+](=O)[O-])c(OCC2CNCC(C)O2)c1.
What is the InChIKey of 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine?
The InChIKey is NYKROSVNZKHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-3-4-12(15(16)17)13(5-9)18-8-11-7-14-6-10(2)19-11/h3-5,10-11,14H,6-8H2,1-2H3.
What are the key properties of 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine?
2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine has a molecular weight of 266.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine is sourced from PubChem (CID 102634814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).