N,2-dimethyl-4-nitroaniline

C8H10N2O2 — CID 25282

IUPACN,2-dimethyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O2/c1-6-5-7(10(11)12)3-4-8(6)9-2/h3-5,9H,1-2H3
InChIKeyNJYYBTRBCMPYCJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.94
Rot. Bonds2

About N,2-dimethyl-4-nitroaniline

N,2-dimethyl-4-nitroaniline (PubChem CID 25282) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N,2-dimethyl-4-nitroaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-nitroaniline
PubChem CID25282
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN,2-dimethyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O2/c1-6-5-7(10(11)12)3-4-8(6)9-2/h3-5,9H,1-2H3
InChIKeyNJYYBTRBCMPYCJ-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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Related Compounds

CID 3397
CID 3397
CID 7483
CID 7483
CID 7441
CID 7441
CID 19318
CID 19318
CID 5276854
CID 5276854
CID 69137
CID 69137
CID 36219
CID 36219
CID 69675
CID 69675
CID 409439
CID 409439
CID 18963
CID 18963
CID 2851650
CID 2851650
CID 11898
CID 11898

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-nitroaniline?
The IUPAC name of N,2-dimethyl-4-nitroaniline (CID 25282) is N,2-dimethyl-4-nitroaniline.
What is the SMILES notation for N,2-dimethyl-4-nitroaniline?
The canonical SMILES for N,2-dimethyl-4-nitroaniline is CNc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N,2-dimethyl-4-nitroaniline?
The InChIKey is NJYYBTRBCMPYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-5-7(10(11)12)3-4-8(6)9-2/h3-5,9H,1-2H3.
What are the key properties of N,2-dimethyl-4-nitroaniline?
N,2-dimethyl-4-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,2-dimethyl-4-nitroaniline is sourced from PubChem (CID 25282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).