2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine

C13H18N2O4 — CID 114775829

IUPAC2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
SMILESCC1(C)CNCC(COc2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C13H18N2O4/c1-13(2)9-14-7-10(19-13)8-18-12-6-4-3-5-11(12)15(16)17/h3-6,10,14H,7-9H2,1-2H3
InChIKeyQSMMHEKVZRHZLS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.74
Rot. Bonds4

About 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine

2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine (PubChem CID 114775829) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
PubChem CID114775829
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
SMILESCC1(C)CNCC(COc2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C13H18N2O4/c1-13(2)9-14-7-10(19-13)8-18-12-6-4-3-5-11(12)15(16)17/h3-6,10,14H,7-9H2,1-2H3
InChIKeyQSMMHEKVZRHZLS-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
CID 114775521
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide
CID 114775875
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 106891998
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methoxy]benzamide
CID 114775879
(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480948
2-[2-[(6,6-dimethylmorpholin-2-yl)methoxymethyl]phenyl]acetic acid
CID 106940905
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-nitrophenyl]methanol
CID 116522270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine?
The IUPAC name of 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine (CID 114775829) is 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine is CC1(C)CNCC(COc2ccccc2[N+](=O)[O-])O1.
What is the InChIKey of 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine?
The InChIKey is QSMMHEKVZRHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2)9-14-7-10(19-13)8-18-12-6-4-3-5-11(12)15(16)17/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine?
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine has a molecular weight of 266.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine is sourced from PubChem (CID 114775829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).