2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride

C14H16ClN3 — CID 16808

IUPAC2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride
SMILESCc1cc(/N=N/c2ccccc2C)ccc1N.Cl
InChIInChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H/b17-16+;
InChIKeyPUDCZUQFOPHIGU-CMBBICFISA-N
MW261.76 g/mol
LogP4.72
Rot. Bonds2

About 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride

2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride (PubChem CID 16808) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride
PubChem CID16808
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride
SMILESCc1cc(/N=N/c2ccccc2C)ccc1N.Cl
InChIInChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H/b17-16+;
InChIKeyPUDCZUQFOPHIGU-CMBBICFISA-N
XLogP4.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride?
The IUPAC name of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride (CID 16808) is 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride.
What is the SMILES notation for 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride?
The canonical SMILES for 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride is Cc1cc(/N=N/c2ccccc2C)ccc1N.Cl.
What is the InChIKey of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride?
The InChIKey is PUDCZUQFOPHIGU-CMBBICFISA-N. The full InChI is InChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H/b17-16+;.
What are the key properties of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride?
2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride is sourced from PubChem (CID 16808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).