4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine

C12H16N2O3 — CID 167231482

IUPAC4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
SMILESCOc1cc(N=O)cc(C)c1N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-9-7-10(13-15)8-11(16-2)12(9)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyVTKZNDYMZYWYKJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.24
Rot. Bonds3

About 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine

4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine (PubChem CID 167231482) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine.

Molecular Properties

Compound Name4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
PubChem CID167231482
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
SMILESCOc1cc(N=O)cc(C)c1N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-9-7-10(13-15)8-11(16-2)12(9)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyVTKZNDYMZYWYKJ-UHFFFAOYSA-N
XLogP2.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methyl-4-nitrosoaniline
CID 89377766
4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
CID 167231314
4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
CID 110169094
3-amino-5-methoxy-4-morpholin-4-ylbenzamide
CID 166624983
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
CID 165482080
3-morpholin-4-yl-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921758
3-bromo-5-methyl-4-morpholin-4-ylaniline
CID 50879612
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine?
The IUPAC name of 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine (CID 167231482) is 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine.
What is the SMILES notation for 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine?
The canonical SMILES for 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine is COc1cc(N=O)cc(C)c1N1CCOCC1.
What is the InChIKey of 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine?
The InChIKey is VTKZNDYMZYWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-7-10(13-15)8-11(16-2)12(9)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine?
4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine has a molecular weight of 236.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine is sourced from PubChem (CID 167231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).