N-methyl-4-nitroaniline

C7H8N2O2 — CID 7483

IUPACN-methyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKeyXIFJZJPMHNUGRA-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-4-nitroaniline

N-methyl-4-nitroaniline (PubChem CID 7483) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-methyl-4-nitroaniline
PubChem CID7483
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-methyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKeyXIFJZJPMHNUGRA-UHFFFAOYSA-N
XLogP1.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitroaniline?
The IUPAC name of N-methyl-4-nitroaniline (CID 7483) is N-methyl-4-nitroaniline.
What is the SMILES notation for N-methyl-4-nitroaniline?
The canonical SMILES for N-methyl-4-nitroaniline is CNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitroaniline?
The InChIKey is XIFJZJPMHNUGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3.
What are the key properties of N-methyl-4-nitroaniline?
N-methyl-4-nitroaniline has a molecular weight of 152.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitroaniline is sourced from PubChem (CID 7483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).