4-methoxy-N-methyl-3-nitroaniline

C8H10N2O3 — CID 4183507

IUPAC4-methoxy-N-methyl-3-nitroaniline
SMILESCNc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-9-6-3-4-8(13-2)7(5-6)10(11)12/h3-5,9H,1-2H3
InChIKeyGCEHTHHPWNJJPA-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.65
Rot. Bonds3

About 4-methoxy-N-methyl-3-nitroaniline

4-methoxy-N-methyl-3-nitroaniline (PubChem CID 4183507) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-nitroaniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-nitroaniline
PubChem CID4183507
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-methoxy-N-methyl-3-nitroaniline
SMILESCNc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-9-6-3-4-8(13-2)7(5-6)10(11)12/h3-5,9H,1-2H3
InChIKeyGCEHTHHPWNJJPA-UHFFFAOYSA-N
XLogP1.65
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
2-(4-methoxy-3-nitroanilino)propanoic acid
CID 113385258
4-methoxy-3-nitrobenzaldehyde
CID 700608
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
4-methoxy-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 113385251
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
5-(4-methoxy-3-nitroanilino)pentanoic acid
CID 113385266
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-nitroaniline?
The IUPAC name of 4-methoxy-N-methyl-3-nitroaniline (CID 4183507) is 4-methoxy-N-methyl-3-nitroaniline.
What is the SMILES notation for 4-methoxy-N-methyl-3-nitroaniline?
The canonical SMILES for 4-methoxy-N-methyl-3-nitroaniline is CNc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-methyl-3-nitroaniline?
The InChIKey is GCEHTHHPWNJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-6-3-4-8(13-2)7(5-6)10(11)12/h3-5,9H,1-2H3.
What are the key properties of 4-methoxy-N-methyl-3-nitroaniline?
4-methoxy-N-methyl-3-nitroaniline has a molecular weight of 182.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-nitroaniline is sourced from PubChem (CID 4183507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).