4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene

C19H18N4O2 — CID 166636644

IUPAC4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene
SMILESCc1ccc(N=O)cc1N=O.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C7H6N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5-2-3-6(8-10)4-7(5)9-11/h1-8H,13-14H2;2-4H,1H3
InChIKeySRLQAANHCYSRGS-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.31
Rot. Bonds3

About 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene

4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene (PubChem CID 166636644) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene
PubChem CID166636644
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene
SMILESCc1ccc(N=O)cc1N=O.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C7H6N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5-2-3-6(8-10)4-7(5)9-11/h1-8H,13-14H2;2-4H,1H3
InChIKeySRLQAANHCYSRGS-UHFFFAOYSA-N
XLogP5.31
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene?
The IUPAC name of 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene (CID 166636644) is 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene.
What is the SMILES notation for 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene?
The canonical SMILES for 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene is Cc1ccc(N=O)cc1N=O.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene?
The InChIKey is SRLQAANHCYSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C7H6N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5-2-3-6(8-10)4-7(5)9-11/h1-8H,13-14H2;2-4H,1H3.
What are the key properties of 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene?
4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene has a molecular weight of 334.38 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene is sourced from PubChem (CID 166636644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).