N,N-dimethyl-4-(phenyldiazenylmethyl)aniline

C15H17N3 — CID 91244696

IUPACN,N-dimethyl-4-(phenyldiazenylmethyl)aniline
SMILESCN(C)c1ccc(C/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H17N3/c1-18(2)15-10-8-13(9-11-15)12-16-17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-16+
InChIKeyWOUNNVPUOBXXAR-WUKNDPDISA-N
MW239.32 g/mol
LogP4.04
Rot. Bonds4

About N,N-dimethyl-4-(phenyldiazenylmethyl)aniline

N,N-dimethyl-4-(phenyldiazenylmethyl)aniline (PubChem CID 91244696) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(phenyldiazenylmethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(phenyldiazenylmethyl)aniline
PubChem CID91244696
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN,N-dimethyl-4-(phenyldiazenylmethyl)aniline
SMILESCN(C)c1ccc(C/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H17N3/c1-18(2)15-10-8-13(9-11-15)12-16-17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-16+
InChIKeyWOUNNVPUOBXXAR-WUKNDPDISA-N
XLogP4.04
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', '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-(phenyldiazenylmethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(phenyldiazenylmethyl)aniline (CID 91244696) is N,N-dimethyl-4-(phenyldiazenylmethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(phenyldiazenylmethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(phenyldiazenylmethyl)aniline is CN(C)c1ccc(C/N=N/c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(phenyldiazenylmethyl)aniline?
The InChIKey is WOUNNVPUOBXXAR-WUKNDPDISA-N. The full InChI is InChI=1S/C15H17N3/c1-18(2)15-10-8-13(9-11-15)12-16-17-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b17-16+.
What are the key properties of N,N-dimethyl-4-(phenyldiazenylmethyl)aniline?
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline has a molecular weight of 239.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(phenyldiazenylmethyl)aniline is sourced from PubChem (CID 91244696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).