2-methoxy-6-methyl-4-nitrosoaniline

C8H10N2O2 — CID 89377766

IUPAC2-methoxy-6-methyl-4-nitrosoaniline
SMILESCOc1cc(N=O)cc(C)c1N
InChIInChI=1S/C8H10N2O2/c1-5-3-6(10-11)4-7(12-2)8(5)9/h3-4H,9H2,1-2H3
InChIKeyBDSOYLKPSZNIRT-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.98
Rot. Bonds2

About 2-methoxy-6-methyl-4-nitrosoaniline

2-methoxy-6-methyl-4-nitrosoaniline (PubChem CID 89377766) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-nitrosoaniline.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-nitrosoaniline
PubChem CID89377766
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methoxy-6-methyl-4-nitrosoaniline
SMILESCOc1cc(N=O)cc(C)c1N
InChIInChI=1S/C8H10N2O2/c1-5-3-6(10-11)4-7(12-2)8(5)9/h3-4H,9H2,1-2H3
InChIKeyBDSOYLKPSZNIRT-UHFFFAOYSA-N
XLogP1.98
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methyl-4-nitrosophenol
CID 23270217
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
1-(4-amino-3-methoxy-5-methylphenyl)ethanone
CID 54447839
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
CID 167231482
6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831
CID 87277234
CID 87277234
(4-amino-3-methoxy-5-nitrosophenyl)methanol
CID 163908630
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
3-amino-4-methoxy-6-methylpyran-2-one
CID 71415412
3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
CID 20667463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-nitrosoaniline?
The IUPAC name of 2-methoxy-6-methyl-4-nitrosoaniline (CID 89377766) is 2-methoxy-6-methyl-4-nitrosoaniline.
What is the SMILES notation for 2-methoxy-6-methyl-4-nitrosoaniline?
The canonical SMILES for 2-methoxy-6-methyl-4-nitrosoaniline is COc1cc(N=O)cc(C)c1N.
What is the InChIKey of 2-methoxy-6-methyl-4-nitrosoaniline?
The InChIKey is BDSOYLKPSZNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-6(10-11)4-7(12-2)8(5)9/h3-4H,9H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-nitrosoaniline?
2-methoxy-6-methyl-4-nitrosoaniline has a molecular weight of 166.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-nitrosoaniline is sourced from PubChem (CID 89377766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).