ethane;N-methyl-4-phenyldiazenylaniline

C17H25N3 — CID 90785372

IUPACethane;N-methyl-4-phenyldiazenylaniline
SMILESCC.CC.CNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H13N3.2C2H6/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12;2*1-2/h2-10,14H,1H3;2*1-2H3/b16-15+;;
InChIKeyQXSZRHGANSAAOM-VRZXRVJBSA-N
MW271.41 g/mol
LogP6.20
Rot. Bonds3

About ethane;N-methyl-4-phenyldiazenylaniline

ethane;N-methyl-4-phenyldiazenylaniline (PubChem CID 90785372) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is ethane;N-methyl-4-phenyldiazenylaniline.

Molecular Properties

Compound Nameethane;N-methyl-4-phenyldiazenylaniline
PubChem CID90785372
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Nameethane;N-methyl-4-phenyldiazenylaniline
SMILESCC.CC.CNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H13N3.2C2H6/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12;2*1-2/h2-10,14H,1H3;2*1-2H3/b16-15+;;
InChIKeyQXSZRHGANSAAOM-VRZXRVJBSA-N
XLogP6.20
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(methyldiazenyl)aniline
CID 23569166
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
N-chloro-4-phenyldiazenylaniline
CID 88790195
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
CID 157283458
CID 157283458
ethane;methyl-[4-[4-(methyldiazenyl)phenyl]phenyl]diazene;methyl(phenyl)diazene
CID 158007531
5-[[4-(methylamino)phenyl]diazenyl]benzene-1,3-dicarboxylic acid
CID 21351282
methane;N-methylaniline;N-phenylmethanimine
CID 158138323
diphenyldiazene;hydrofluoride
CID 174857584
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
[4-(methylamino)phenyl]-oxido-phenyliminoazanium
CID 18958146

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-phenyldiazenylaniline?
The IUPAC name of ethane;N-methyl-4-phenyldiazenylaniline (CID 90785372) is ethane;N-methyl-4-phenyldiazenylaniline.
What is the SMILES notation for ethane;N-methyl-4-phenyldiazenylaniline?
The canonical SMILES for ethane;N-methyl-4-phenyldiazenylaniline is CC.CC.CNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of ethane;N-methyl-4-phenyldiazenylaniline?
The InChIKey is QXSZRHGANSAAOM-VRZXRVJBSA-N. The full InChI is InChI=1S/C13H13N3.2C2H6/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12;2*1-2/h2-10,14H,1H3;2*1-2H3/b16-15+;;.
What are the key properties of ethane;N-methyl-4-phenyldiazenylaniline?
ethane;N-methyl-4-phenyldiazenylaniline has a molecular weight of 271.41 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-phenyldiazenylaniline is sourced from PubChem (CID 90785372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).