N,4-diethyl-N-methoxy-2,6-dinitroaniline

C11H15N3O5 — CID 21329883

IUPACN,4-diethyl-N-methoxy-2,6-dinitroaniline
SMILESCCc1cc([N+](=O)[O-])c(N(CC)OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5/c1-4-8-6-9(13(15)16)11(12(5-2)19-3)10(7-8)14(17)18/h6-7H,4-5H2,1-3H3
InChIKeyWZLORQYYVJMKFB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds6

About N,4-diethyl-N-methoxy-2,6-dinitroaniline

N,4-diethyl-N-methoxy-2,6-dinitroaniline (PubChem CID 21329883) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is N,4-diethyl-N-methoxy-2,6-dinitroaniline.

Molecular Properties

Compound NameN,4-diethyl-N-methoxy-2,6-dinitroaniline
PubChem CID21329883
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC NameN,4-diethyl-N-methoxy-2,6-dinitroaniline
SMILESCCc1cc([N+](=O)[O-])c(N(CC)OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5/c1-4-8-6-9(13(15)16)11(12(5-2)19-3)10(7-8)14(17)18/h6-7H,4-5H2,1-3H3
InChIKeyWZLORQYYVJMKFB-UHFFFAOYSA-N
XLogP2.45
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
CID 87512299
N-methoxy-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline
CID 54242312
5-ethyl-2-methoxy-3-nitrobenzoyl chloride
CID 50882213
2-chloro-5-ethyl-3-nitrophenol
CID 165153048
1-ethyl-4-(methoxymethyl)-2-nitrobenzene
CID 12708566
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
2-(dimethylamino)-5-[ethyl(methylsulfanylsulfonyloxy)amino]-1,3-dinitrobenzene
CID 71777137
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
2-diethoxyphosphoryl-4-ethyl-6-nitrophenol
CID 175647293
4-ethyl-2-nitro-1-(trifluoromethyl)benzene
CID 70585415
[4-[ethyl(1-methoxypropan-2-yl)amino]-3-nitrophenyl]methanol
CID 55010631

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-methoxy-2,6-dinitroaniline?
The IUPAC name of N,4-diethyl-N-methoxy-2,6-dinitroaniline (CID 21329883) is N,4-diethyl-N-methoxy-2,6-dinitroaniline.
What is the SMILES notation for N,4-diethyl-N-methoxy-2,6-dinitroaniline?
The canonical SMILES for N,4-diethyl-N-methoxy-2,6-dinitroaniline is CCc1cc([N+](=O)[O-])c(N(CC)OC)c([N+](=O)[O-])c1.
What is the InChIKey of N,4-diethyl-N-methoxy-2,6-dinitroaniline?
The InChIKey is WZLORQYYVJMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-4-8-6-9(13(15)16)11(12(5-2)19-3)10(7-8)14(17)18/h6-7H,4-5H2,1-3H3.
What are the key properties of N,4-diethyl-N-methoxy-2,6-dinitroaniline?
N,4-diethyl-N-methoxy-2,6-dinitroaniline has a molecular weight of 269.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-methoxy-2,6-dinitroaniline is sourced from PubChem (CID 21329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).