4-methoxy-2-methyl-5-nitroaniline

C8H10N2O3 — CID 12069313

IUPAC4-methoxy-2-methyl-5-nitroaniline
SMILESCOc1cc(C)c(N)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,9H2,1-2H3
InChIKeyUKOJKBPYZLLFOL-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.49
Rot. Bonds2

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

4-methoxy-2-methyl-5-nitroaniline (PubChem CID 12069313) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-nitroaniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-nitroaniline
PubChem CID12069313
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-methoxy-2-methyl-5-nitroaniline
SMILESCOc1cc(C)c(N)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,9H2,1-2H3
InChIKeyUKOJKBPYZLLFOL-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 4-methoxy-2-methyl-5-nitroaniline?
The IUPAC name of 4-methoxy-2-methyl-5-nitroaniline (CID 12069313) is 4-methoxy-2-methyl-5-nitroaniline.
What is the SMILES notation for 4-methoxy-2-methyl-5-nitroaniline?
The canonical SMILES for 4-methoxy-2-methyl-5-nitroaniline is COc1cc(C)c(N)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-2-methyl-5-nitroaniline?
The InChIKey is UKOJKBPYZLLFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,9H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-5-nitroaniline?
4-methoxy-2-methyl-5-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 4-methoxy-2-methyl-5-nitroaniline is sourced from PubChem (CID 12069313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).