4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine

C15H18N4O — CID 58654539

IUPAC4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
SMILESCOc1cc(C)ccc1/N=N/c1cc(C)c(N)cc1N
InChIInChI=1S/C15H18N4O/c1-9-4-5-13(15(6-9)20-3)18-19-14-7-10(2)11(16)8-12(14)17/h4-8H,16-17H2,1-3H3/b19-18+
InChIKeyNOFQQZVAQCGYDQ-VHEBQXMUSA-N
MW270.34 g/mol
LogP3.89
Rot. Bonds3

About 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine

4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine (PubChem CID 58654539) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
PubChem CID58654539
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
SMILESCOc1cc(C)ccc1/N=N/c1cc(C)c(N)cc1N
InChIInChI=1S/C15H18N4O/c1-9-4-5-13(15(6-9)20-3)18-19-14-7-10(2)11(16)8-12(14)17/h4-8H,16-17H2,1-3H3/b19-18+
InChIKeyNOFQQZVAQCGYDQ-VHEBQXMUSA-N
XLogP3.89
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
[2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-5-methylphenyl]urea
CID 157197459
4-[(4-chlorophenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 20545497
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
1-azido-2-methoxy-4-methylbenzene
CID 152671087
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
CID 18987570
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline
CID 91014224
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
CID 90458221
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine?
The IUPAC name of 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine (CID 58654539) is 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine?
The canonical SMILES for 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine is COc1cc(C)ccc1/N=N/c1cc(C)c(N)cc1N.
What is the InChIKey of 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine?
The InChIKey is NOFQQZVAQCGYDQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-4-5-13(15(6-9)20-3)18-19-14-7-10(2)11(16)8-12(14)17/h4-8H,16-17H2,1-3H3/b19-18+.
What are the key properties of 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine?
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine has a molecular weight of 270.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 58654539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).