4-methoxy-N-(2-methoxyethyl)-2-nitroaniline

C10H14N2O4 — CID 28549886

IUPAC4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-6-5-11-9-4-3-8(16-2)7-10(9)12(13)14/h3-4,7,11H,5-6H2,1-2H3
InChIKeyUFGYMKDNHLAWTN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.66
Rot. Bonds6

About 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline

4-methoxy-N-(2-methoxyethyl)-2-nitroaniline (PubChem CID 28549886) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
PubChem CID28549886
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-15-6-5-11-9-4-3-8(16-2)7-10(9)12(13)14/h3-4,7,11H,5-6H2,1-2H3
InChIKeyUFGYMKDNHLAWTN-UHFFFAOYSA-N
XLogP1.66
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382
4-methoxy-N-(4-methoxybutyl)-2-nitroaniline
CID 60965413
4-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-nitroaniline
CID 104624092
N-(3-butoxypropyl)-4-methoxy-2-nitroaniline
CID 115569626
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264
2-[2-(4-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79456576
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxy-2-nitroaniline
CID 104705433
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
1-N-(4-methoxy-2-nitrophenyl)butane-1,3-diamine
CID 63251342
N-(2-ethylsulfinylethyl)-4-methoxy-2-nitroaniline
CID 115627397
2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol
CID 19851150

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline (CID 28549886) is 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline is COCCNc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline?
The InChIKey is UFGYMKDNHLAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-6-5-11-9-4-3-8(16-2)7-10(9)12(13)14/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline?
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline has a molecular weight of 226.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-2-nitroaniline is sourced from PubChem (CID 28549886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).