4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline

C14H16N4 — CID 21443876

IUPAC4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/N=N/c1ccc(N)cc1C
InChIInChI=1S/C14H16N4/c1-9-7-11(15)3-5-13(9)17-18-14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3/b18-17+
InChIKeySLVZSHDRHHUDDV-ISLYRVAYSA-N
MW240.31 g/mol
LogP3.88
Rot. Bonds2

About 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline

4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline (PubChem CID 21443876) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline.

Molecular Properties

Compound Name4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
PubChem CID21443876
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/N=N/c1ccc(N)cc1C
InChIInChI=1S/C14H16N4/c1-9-7-11(15)3-5-13(9)17-18-14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3/b18-17+
InChIKeySLVZSHDRHHUDDV-ISLYRVAYSA-N
XLogP3.88
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
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'}

Analyze 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline 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

sodium 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 54609884
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
3-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 90955743
2-amino-5-[(4-amino-2-methylphenyl)diazenyl]benzene-1,4-disulfonic acid
CID 154220394
3-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]aniline
CID 125464946
5-amino-2-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonic acid;aniline;ethane
CID 144788097
4-[(2,4-diaminophenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 20764501
3-methyl-4-[[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]diazenyl]aniline
CID 88875036
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
7-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid
CID 14618435
1-[4-[(4-aminophenyl)diazenyl]-N-(1-hydroxyethyl)-3-methylanilino]ethanol
CID 19834613

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline?
The IUPAC name of 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline (CID 21443876) is 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline.
What is the SMILES notation for 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline?
The canonical SMILES for 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline is Cc1cc(N)ccc1/N=N/c1ccc(N)cc1C.
What is the InChIKey of 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline?
The InChIKey is SLVZSHDRHHUDDV-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-7-11(15)3-5-13(9)17-18-14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3/b18-17+.
What are the key properties of 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline?
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline has a molecular weight of 240.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline is sourced from PubChem (CID 21443876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).