2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine

C14H20N2O4 — CID 114775521

IUPAC2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
SMILESCC1(C)CNCC(COCc2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C14H20N2O4/c1-14(2)10-15-7-12(20-14)9-19-8-11-5-3-4-6-13(11)16(17)18/h3-6,12,15H,7-10H2,1-2H3
InChIKeyMVJYYYFPJWKKIV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.88
Rot. Bonds5

About 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine

2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine (PubChem CID 114775521) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
PubChem CID114775521
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
SMILESCC1(C)CNCC(COCc2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C14H20N2O4/c1-14(2)10-15-7-12(20-14)9-19-8-11-5-3-4-6-13(11)16(17)18/h3-6,12,15H,7-10H2,1-2H3
InChIKeyMVJYYYFPJWKKIV-UHFFFAOYSA-N
XLogP1.88
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.88
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-nitrophenoxy)methyl]morpholine
CID 114775829
2-[2-[(6,6-dimethylmorpholin-2-yl)methoxymethyl]phenyl]acetic acid
CID 106940905
6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
CID 114775576
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
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
2,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxymethyl]morpholine
CID 114775307
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
(2-nitrophenyl)methoxymethanamine
CID 175012109
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
2,2-dimethyl-6-[(3-propan-2-ylimidazol-4-yl)methoxymethyl]morpholine
CID 106939028

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine?
The IUPAC name of 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine (CID 114775521) is 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine?
The canonical SMILES for 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine is CC1(C)CNCC(COCc2ccccc2[N+](=O)[O-])O1.
What is the InChIKey of 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine?
The InChIKey is MVJYYYFPJWKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)10-15-7-12(20-14)9-19-8-11-5-3-4-6-13(11)16(17)18/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine?
2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine has a molecular weight of 280.32 g/mol, XLogP of 1.88, 5 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-nitrophenyl)methoxymethyl]morpholine is sourced from PubChem (CID 114775521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).