N-ethyl-2-methoxy-6-nitroaniline

C9H12N2O3 — CID 89287909

IUPACN-ethyl-2-methoxy-6-nitroaniline
SMILESCCNc1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-3-10-9-7(11(12)13)5-4-6-8(9)14-2/h4-6,10H,3H2,1-2H3
InChIKeyDTJVABSVCDSASD-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-2-methoxy-6-nitroaniline

N-ethyl-2-methoxy-6-nitroaniline (PubChem CID 89287909) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-ethyl-2-methoxy-6-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2-methoxy-6-nitroaniline
PubChem CID89287909
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-ethyl-2-methoxy-6-nitroaniline
SMILESCCNc1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-3-10-9-7(11(12)13)5-4-6-8(9)14-2/h4-6,10H,3H2,1-2H3
InChIKeyDTJVABSVCDSASD-UHFFFAOYSA-N
XLogP2.04
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane
CID 156722661
N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
CID 107352178
(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid
CID 129389955
N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
CID 107351162
2-(ethoxymethyl)-1-methoxy-3-nitrobenzene
CID 122651743
2-[(2-fluoro-6-nitroanilino)methyl]-6-methoxyphenol
CID 81306899
N-ethyl-2-(3-methoxypropylsulfanylmethyl)-6-nitroaniline
CID 107352761
2-(2-methoxy-6-nitroanilino)benzoic acid
CID 121004512
N-(2-hydroxy-2-methylpentyl)-2-methoxy-6-nitrobenzamide
CID 106290157
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351125
N-ethyl-2-[2-(2-methylpropoxy)ethoxymethyl]-6-nitroaniline
CID 107352511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-6-nitroaniline?
The IUPAC name of N-ethyl-2-methoxy-6-nitroaniline (CID 89287909) is N-ethyl-2-methoxy-6-nitroaniline.
What is the SMILES notation for N-ethyl-2-methoxy-6-nitroaniline?
The canonical SMILES for N-ethyl-2-methoxy-6-nitroaniline is CCNc1c(OC)cccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-methoxy-6-nitroaniline?
The InChIKey is DTJVABSVCDSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-10-9-7(11(12)13)5-4-6-8(9)14-2/h4-6,10H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-6-nitroaniline?
N-ethyl-2-methoxy-6-nitroaniline has a molecular weight of 196.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-6-nitroaniline is sourced from PubChem (CID 89287909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).