2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline

C15H16N4O3 — CID 18987570

IUPAC2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1N
InChIInChI=1S/C15H16N4O3/c1-9-4-5-12(14(6-9)19(20)21)17-18-13-8-15(22-3)11(16)7-10(13)2/h4-8H,16H2,1-3H3/b18-17+
InChIKeyVOYNKHKVVYBZQC-ISLYRVAYSA-N
MW300.32 g/mol
LogP4.22
Rot. Bonds4

About 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline

2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline (PubChem CID 18987570) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
PubChem CID18987570
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1N
InChIInChI=1S/C15H16N4O3/c1-9-4-5-12(14(6-9)19(20)21)17-18-13-8-15(22-3)11(16)7-10(13)2/h4-8H,16H2,1-3H3/b18-17+
InChIKeyVOYNKHKVVYBZQC-ISLYRVAYSA-N
XLogP4.22
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 171057593
zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
CID 170842341
(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 3312176
[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
CID 163798769
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-methyl-N-propan-2-ylaniline
CID 118234425
2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanolate
CID 176862758
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
CID 158902858
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene
CID 134530520
2-[N-butyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol;ethane
CID 145172306
N-ethyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 166504462
2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
CID 169183184

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline (CID 18987570) is 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline is COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1N.
What is the InChIKey of 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline?
The InChIKey is VOYNKHKVVYBZQC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-4-5-12(14(6-9)19(20)21)17-18-13-8-15(22-3)11(16)7-10(13)2/h4-8H,16H2,1-3H3/b18-17+.
What are the key properties of 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline?
2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline has a molecular weight of 300.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 18987570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).