5-methoxy-4-methyl-2-nitroaniline

C8H10N2O3 — CID 51051616

IUPAC5-methoxy-4-methyl-2-nitroaniline
SMILESCOc1cc(N)c([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,9H2,1-2H3
InChIKeyHNGPMYQSCBNTRB-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.49
Rot. Bonds2

About 5-methoxy-4-methyl-2-nitroaniline

5-methoxy-4-methyl-2-nitroaniline (PubChem CID 51051616) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-nitroaniline.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-nitroaniline
PubChem CID51051616
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-methoxy-4-methyl-2-nitroaniline
SMILESCOc1cc(N)c([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,9H2,1-2H3
InChIKeyHNGPMYQSCBNTRB-UHFFFAOYSA-N
XLogP1.49
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-nitroaniline?
The IUPAC name of 5-methoxy-4-methyl-2-nitroaniline (CID 51051616) is 5-methoxy-4-methyl-2-nitroaniline.
What is the SMILES notation for 5-methoxy-4-methyl-2-nitroaniline?
The canonical SMILES for 5-methoxy-4-methyl-2-nitroaniline is COc1cc(N)c([N+](=O)[O-])cc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-nitroaniline?
The InChIKey is HNGPMYQSCBNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,9H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-2-nitroaniline?
5-methoxy-4-methyl-2-nitroaniline has a molecular weight of 182.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-nitroaniline is sourced from PubChem (CID 51051616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).