N,3-dimethyl-2-nitroaniline

C8H10N2O2 — CID 15256880

IUPACN,3-dimethyl-2-nitroaniline
SMILESCNc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-7(9-2)8(6)10(11)12/h3-5,9H,1-2H3
InChIKeyLCJLKXGPJUXKDV-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.94
Rot. Bonds2

About N,3-dimethyl-2-nitroaniline

N,3-dimethyl-2-nitroaniline (PubChem CID 15256880) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N,3-dimethyl-2-nitroaniline.

Molecular Properties

Compound NameN,3-dimethyl-2-nitroaniline
PubChem CID15256880
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN,3-dimethyl-2-nitroaniline
SMILESCNc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-7(9-2)8(6)10(11)12/h3-5,9H,1-2H3
InChIKeyLCJLKXGPJUXKDV-UHFFFAOYSA-N
XLogP1.94
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.94
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,3-dimethyl-2-nitroaniline?
The IUPAC name of N,3-dimethyl-2-nitroaniline (CID 15256880) is N,3-dimethyl-2-nitroaniline.
What is the SMILES notation for N,3-dimethyl-2-nitroaniline?
The canonical SMILES for N,3-dimethyl-2-nitroaniline is CNc1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of N,3-dimethyl-2-nitroaniline?
The InChIKey is LCJLKXGPJUXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-3-5-7(9-2)8(6)10(11)12/h3-5,9H,1-2H3.
What are the key properties of N,3-dimethyl-2-nitroaniline?
N,3-dimethyl-2-nitroaniline has a molecular weight of 166.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-nitroaniline is sourced from PubChem (CID 15256880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).