3-(methoxymethoxy)-2-nitroaniline

C8H10N2O4 — CID 91619111

IUPAC3-(methoxymethoxy)-2-nitroaniline
SMILESCOCOc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4/c1-13-5-14-7-4-2-3-6(9)8(7)10(11)12/h2-4H,5,9H2,1H3
InChIKeyCZZWZHYVMJLYJC-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.16
Rot. Bonds4

About 3-(methoxymethoxy)-2-nitroaniline

3-(methoxymethoxy)-2-nitroaniline (PubChem CID 91619111) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(methoxymethoxy)-2-nitroaniline.

Molecular Properties

Compound Name3-(methoxymethoxy)-2-nitroaniline
PubChem CID91619111
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(methoxymethoxy)-2-nitroaniline
SMILESCOCOc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4/c1-13-5-14-7-4-2-3-6(9)8(7)10(11)12/h2-4H,5,9H2,1H3
InChIKeyCZZWZHYVMJLYJC-UHFFFAOYSA-N
XLogP1.16
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropoxy)-2-nitroaniline
CID 80860372
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
2-nitro-3-(oxan-4-ylmethoxy)aniline
CID 80879794
[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
CID 175523343
3-(2-methyl-3-nitrophenoxy)-2-nitroaniline
CID 80875915
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
3-(methoxymethoxy)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 11820011
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
3-(2-methoxyethylsulfanyl)-2-nitroaniline
CID 80884375
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-2-nitroaniline?
The IUPAC name of 3-(methoxymethoxy)-2-nitroaniline (CID 91619111) is 3-(methoxymethoxy)-2-nitroaniline.
What is the SMILES notation for 3-(methoxymethoxy)-2-nitroaniline?
The canonical SMILES for 3-(methoxymethoxy)-2-nitroaniline is COCOc1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-(methoxymethoxy)-2-nitroaniline?
The InChIKey is CZZWZHYVMJLYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-5-14-7-4-2-3-6(9)8(7)10(11)12/h2-4H,5,9H2,1H3.
What are the key properties of 3-(methoxymethoxy)-2-nitroaniline?
3-(methoxymethoxy)-2-nitroaniline has a molecular weight of 198.18 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-2-nitroaniline is sourced from PubChem (CID 91619111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).