4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline

C11H16N2O5 — CID 83008459

IUPAC4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O5/c1-16-5-4-12-8-6-10(17-2)11(18-3)7-9(8)13(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeyIZJAFPRPMMIELS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.67
Rot. Bonds7

About 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline

4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline (PubChem CID 83008459) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline.

Molecular Properties

Compound Name4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
PubChem CID83008459
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O5/c1-16-5-4-12-8-6-10(17-2)11(18-3)7-9(8)13(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeyIZJAFPRPMMIELS-UHFFFAOYSA-N
XLogP1.67
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
N-(2-but-3-enoxyethyl)-4,5-dimethoxy-2-nitroaniline
CID 106404833
4,5-dimethoxy-2-nitro-N-(3-propoxypropyl)aniline
CID 83005885
5-(4,5-dimethoxy-2-nitroanilino)pentan-1-ol
CID 107302435
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
4-(4,5-dimethoxy-2-nitroanilino)butanamide
CID 83008392
2-(4,5-dimethoxy-2-nitroanilino)ethylurea
CID 83113274
4,5-dimethoxy-2-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 102809312
1-(4,5-dimethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 83008395
1-[2-(4,5-dimethoxy-2-nitroanilino)ethylamino]propan-2-ol
CID 104594213
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
(4,5-dimethoxy-2-nitrophenyl)hydrazine
CID 11435818

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline?
The IUPAC name of 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline (CID 83008459) is 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline.
What is the SMILES notation for 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline?
The canonical SMILES for 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline is COCCNc1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline?
The InChIKey is IZJAFPRPMMIELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-16-5-4-12-8-6-10(17-2)11(18-3)7-9(8)13(14)15/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline?
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline has a molecular weight of 256.26 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline is sourced from PubChem (CID 83008459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).