N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline

C11H16N2O3 — CID 143918275

IUPACN-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline
SMILESCOCCN(C)c1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-9-4-5-10(11(8-9)13(14)15)12(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyWRDIRTQUBBQRLA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.99
Rot. Bonds5

About N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline

N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline (PubChem CID 143918275) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline
PubChem CID143918275
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline
SMILESCOCCN(C)c1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-9-4-5-10(11(8-9)13(14)15)12(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyWRDIRTQUBBQRLA-UHFFFAOYSA-N
XLogP1.99
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
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-(bromomethyl)-N-(2-methoxyethyl)-N-methyl-2-nitroaniline
CID 107081170
1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 61038514
(1S)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 78940068
(1R)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 63371360
4-[2-methoxyethyl(methyl)amino]-2-methyl-5-nitrobenzoic acid
CID 151745509
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 55126771
4-bromo-N,N-bis(2-methoxyethyl)-2-nitroaniline
CID 60647488
3-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitroaniline
CID 61397781
2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline
CID 142513074
4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-nitrobenzamide
CID 26448917
4-methyl-N-(4-methyl-2-nitrophenyl)-N-(4-methylphenyl)-2-nitroaniline
CID 101413649
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-nitrobenzonitrile
CID 78795191

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline?
The IUPAC name of N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline (CID 143918275) is N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline.
What is the SMILES notation for N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline?
The canonical SMILES for N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline is COCCN(C)c1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline?
The InChIKey is WRDIRTQUBBQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9-4-5-10(11(8-9)13(14)15)12(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline?
N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline has a molecular weight of 224.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline is sourced from PubChem (CID 143918275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).