N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline

C14H14N4O3 — CID 86081155

IUPACN-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C14H14N4O3/c1-10-3-5-11(6-4-10)15-17-16-13-8-7-12(18(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,15,16)
InChIKeyVUGDTRIZERLBIT-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.02
Rot. Bonds5

About N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline

N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline (PubChem CID 86081155) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
PubChem CID86081155
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C14H14N4O3/c1-10-3-5-11(6-4-10)15-17-16-13-8-7-12(18(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,15,16)
InChIKeyVUGDTRIZERLBIT-UHFFFAOYSA-N
XLogP4.02
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
CID 170844614
2-[(2-methoxy-4-methylphenyl)diazenyl]-N-[4-[[2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
CID 54209235
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624062
2-methoxy-N-[(E)-(5-methylthiophen-2-yl)diazenyl]-4-nitroaniline
CID 135080053
2-methoxy-4-nitrobenzenethiol
CID 22148741
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
4,6-dichloro-N-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methoxyphenyl]-1,3,5-triazin-2-amine
CID 132523379
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
CID 169183184
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline?
The IUPAC name of N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline (CID 86081155) is N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline.
What is the SMILES notation for N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline?
The canonical SMILES for N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline is COc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline?
The InChIKey is VUGDTRIZERLBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-10-3-5-11(6-4-10)15-17-16-13-8-7-12(18(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline?
N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline has a molecular weight of 286.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline is sourced from PubChem (CID 86081155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).