2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride

C13H15ClN4 — CID 3019870

IUPAC2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
SMILESCc1c(N)ccc(/N=N/c2ccccc2)c1N.Cl
InChIInChI=1S/C13H14N4.ClH/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H/b17-16+;
InChIKeyPPUNNUBHWAOOHS-CMBBICFISA-N
MW262.74 g/mol
LogP4.00
Rot. Bonds2

About 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride

2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride (PubChem CID 3019870) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
PubChem CID3019870
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
SMILESCc1c(N)ccc(/N=N/c2ccccc2)c1N.Cl
InChIInChI=1S/C13H14N4.ClH/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H/b17-16+;
InChIKeyPPUNNUBHWAOOHS-CMBBICFISA-N
XLogP4.00
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.00
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'}

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Related Compounds

2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine
CID 95930154
3-methyl-4-phenyldiazenyl-2-(trifluoromethyl)aniline
CID 154360261
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
CID 57365046
8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135815835
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
2,6-dimethyl-3-phenyldiazenylphenol
CID 90731242
3-methyl-2,4-bis(phenyldiazenyl)phenol
CID 165356991
4-phenyldiazenylbenzene-1,2,3,5-tetramine
CID 175027546
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride?
The IUPAC name of 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride (CID 3019870) is 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride?
The canonical SMILES for 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride is Cc1c(N)ccc(/N=N/c2ccccc2)c1N.Cl.
What is the InChIKey of 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride?
The InChIKey is PPUNNUBHWAOOHS-CMBBICFISA-N. The full InChI is InChI=1S/C13H14N4.ClH/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H/b17-16+;.
What are the key properties of 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride?
2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride is sourced from PubChem (CID 3019870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).