6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine

C13H16Cl2N2O4 — CID 106891998

IUPAC6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COc2c(Cl)cc([N+](=O)[O-])cc2Cl)O1
InChIInChI=1S/C13H16Cl2N2O4/c1-13(2)7-16-5-9(21-13)6-20-12-10(14)3-8(17(18)19)4-11(12)15/h3-4,9,16H,5-7H2,1-2H3
InChIKeyINHHNRFSCWGZJD-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.05
Rot. Bonds4

About 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine

6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine (PubChem CID 106891998) has the molecular formula C13H16Cl2N2O4 and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
PubChem CID106891998
Molecular FormulaC13H16Cl2N2O4
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COc2c(Cl)cc([N+](=O)[O-])cc2Cl)O1
InChIInChI=1S/C13H16Cl2N2O4/c1-13(2)7-16-5-9(21-13)6-20-12-10(14)3-8(17(18)19)4-11(12)15/h3-4,9,16H,5-7H2,1-2H3
InChIKeyINHHNRFSCWGZJD-UHFFFAOYSA-N
XLogP3.05
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.05
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

6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
CID 114775521
5-[(2-chloro-5-nitrophenoxy)methyl]-2,2-dimethyloxolane
CID 116525449
5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methoxy]benzamide
CID 114775879
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114775928
6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114869831
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114775696

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine (CID 106891998) is 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine is CC1(C)CNCC(COc2c(Cl)cc([N+](=O)[O-])cc2Cl)O1.
What is the InChIKey of 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine?
The InChIKey is INHHNRFSCWGZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4/c1-13(2)7-16-5-9(21-13)6-20-12-10(14)3-8(17(18)19)4-11(12)15/h3-4,9,16H,5-7H2,1-2H3.
What are the key properties of 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine?
6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine has a molecular weight of 335.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 106891998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).