4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline

C15H17N3O — CID 118049560

IUPAC4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1/N=N/c1ccc(C)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-4-6-13(8-11(10)2)17-18-14-7-5-12(16)9-15(14)19-3/h4-9H,16H2,1-3H3/b18-17+
InChIKeyXRAZBNYSMBCAMP-ISLYRVAYSA-N
MW255.32 g/mol
LogP4.31
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline

4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline (PubChem CID 118049560) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
PubChem CID118049560
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1/N=N/c1ccc(C)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-4-6-13(8-11(10)2)17-18-14-7-5-12(16)9-15(14)19-3/h4-9H,16H2,1-3H3/b18-17+
InChIKeyXRAZBNYSMBCAMP-ISLYRVAYSA-N
XLogP4.31
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(4-isocyanato-2-methoxyphenyl)-(4-isocyanato-3-methylphenyl)diazene
CID 21242740
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
4-[(4-aminophenyl)diazenyl]-3-methoxybenzenesulfonic acid
CID 88756347
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
3,4-dimethylaniline;4-isothiocyanato-1,2-dimethylbenzene
CID 158429359
4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
CID 148790382
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
3,4-dimethylaniline;(3,4-dimethylphenyl)-(3-methoxy-4-nitrophenyl)diazene;1-(3,4-dimethylphenyl)-2-(3-methoxy-4-nitrophenyl)hydrazine;2-methoxybenzene-1,4-diamine
CID 159125409
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
CID 136628846
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
3-amino-5-hydroxy-6-[[4-[[4-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136606721

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline?
The IUPAC name of 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline (CID 118049560) is 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline?
The canonical SMILES for 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline is COc1cc(N)ccc1/N=N/c1ccc(C)c(C)c1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline?
The InChIKey is XRAZBNYSMBCAMP-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-6-13(8-11(10)2)17-18-14-7-5-12(16)9-15(14)19-3/h4-9H,16H2,1-3H3/b18-17+.
What are the key properties of 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline?
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline has a molecular weight of 255.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline is sourced from PubChem (CID 118049560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).