N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline

C15H17N3 — CID 19508

IUPACN,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline
SMILESCc1ccccc1/N=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3/b17-16+
InChIKeyPREOKNMPMCPQQJ-WUKNDPDISA-N
MW239.32 g/mol
LogP4.48
Rot. Bonds3

About N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline

N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline (PubChem CID 19508) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline
PubChem CID19508
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline
SMILESCc1ccccc1/N=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3/b17-16+
InChIKeyPREOKNMPMCPQQJ-WUKNDPDISA-N
XLogP4.48
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline (CID 19508) is N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline is Cc1ccccc1/N=N/c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline?
The InChIKey is PREOKNMPMCPQQJ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3/b17-16+.
What are the key properties of N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline?
N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline has a molecular weight of 239.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline is sourced from PubChem (CID 19508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).