N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline

C14H14ClN3 — CID 71395427

IUPACN-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline
SMILESCc1cc(Cl)ccc1/N=N/N(C)c1ccccc1
InChIInChI=1S/C14H14ClN3/c1-11-10-12(15)8-9-14(11)16-17-18(2)13-6-4-3-5-7-13/h3-10H,1-2H3/b17-16+
InChIKeyXTDFTOJTIWLEAK-WUKNDPDISA-N
MW259.74 g/mol
LogP4.78
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline

N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline (PubChem CID 71395427) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline
PubChem CID71395427
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC NameN-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline
SMILESCc1cc(Cl)ccc1/N=N/N(C)c1ccccc1
InChIInChI=1S/C14H14ClN3/c1-11-10-12(15)8-9-14(11)16-17-18(2)13-6-4-3-5-7-13/h3-10H,1-2H3/b17-16+
InChIKeyXTDFTOJTIWLEAK-WUKNDPDISA-N
XLogP4.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline?
The IUPAC name of N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline (CID 71395427) is N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline is Cc1cc(Cl)ccc1/N=N/N(C)c1ccccc1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline?
The InChIKey is XTDFTOJTIWLEAK-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14ClN3/c1-11-10-12(15)8-9-14(11)16-17-18(2)13-6-4-3-5-7-13/h3-10H,1-2H3/b17-16+.
What are the key properties of N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline?
N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline has a molecular weight of 259.74 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline is sourced from PubChem (CID 71395427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).