2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine

C12H14Cl2N2O4 — CID 102634870

IUPAC2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
SMILESCC1CNCC(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])O1
InChIInChI=1S/C12H14Cl2N2O4/c1-7-4-15-5-8(20-7)6-19-12-3-10(14)9(13)2-11(12)16(17)18/h2-3,7-8,15H,4-6H2,1H3
InChIKeyFOZFDFGDCQTOES-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.66
Rot. Bonds4

About 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine

2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine (PubChem CID 102634870) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
PubChem CID102634870
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Name2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
SMILESCC1CNCC(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])O1
InChIInChI=1S/C12H14Cl2N2O4/c1-7-4-15-5-8(20-7)6-19-12-3-10(14)9(13)2-11(12)16(17)18/h2-3,7-8,15H,4-6H2,1H3
InChIKeyFOZFDFGDCQTOES-UHFFFAOYSA-N
XLogP2.66
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.66
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-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
CID 102634814
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
CID 102635015
2-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]-6-methylmorpholine
CID 102635311
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
CID 102634942
3-[(6-methylmorpholin-2-yl)methoxy]-2-nitrobenzonitrile
CID 102635172
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
CID 107499464
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
CID 102635252
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870
2-[(3-methoxy-5-nitrophenyl)methoxymethyl]-6-methylmorpholine
CID 102633871

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine?
The IUPAC name of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine (CID 102634870) is 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine?
The canonical SMILES for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine is CC1CNCC(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])O1.
What is the InChIKey of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine?
The InChIKey is FOZFDFGDCQTOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-7-4-15-5-8(20-7)6-19-12-3-10(14)9(13)2-11(12)16(17)18/h2-3,7-8,15H,4-6H2,1H3.
What are the key properties of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine?
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine has a molecular weight of 321.16 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine is sourced from PubChem (CID 102634870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).