ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene

C16H22N4O — CID 174548218

IUPACethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene
SMILESCCO.Cc1ccccc1N(C)N/N=N/c1ccccc1
InChIInChI=1S/C14H16N4.C2H6O/c1-12-8-6-7-11-14(12)18(2)17-16-15-13-9-4-3-5-10-13;1-2-3/h3-11H,1-2H3,(H,15,17);3H,2H2,1H3
InChIKeyOWPCXWBJSZSIFG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds4

About ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene

ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene (PubChem CID 174548218) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene.

Molecular Properties

Compound Nameethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene
PubChem CID174548218
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Nameethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene
SMILESCCO.Cc1ccccc1N(C)N/N=N/c1ccccc1
InChIInChI=1S/C14H16N4.C2H6O/c1-12-8-6-7-11-14(12)18(2)17-16-15-13-9-4-3-5-10-13;1-2-3/h3-11H,1-2H3,(H,15,17);3H,2H2,1H3
InChIKeyOWPCXWBJSZSIFG-UHFFFAOYSA-N
XLogP3.63
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene?
The IUPAC name of ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene (CID 174548218) is ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene.
What is the SMILES notation for ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene?
The canonical SMILES for ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene is CCO.Cc1ccccc1N(C)N/N=N/c1ccccc1.
What is the InChIKey of ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene?
The InChIKey is OWPCXWBJSZSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4.C2H6O/c1-12-8-6-7-11-14(12)18(2)17-16-15-13-9-4-3-5-10-13;1-2-3/h3-11H,1-2H3,(H,15,17);3H,2H2,1H3.
What are the key properties of ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene?
ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene has a molecular weight of 286.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-methyl-2-[methyl-(2-phenyliminohydrazinyl)amino]benzene is sourced from PubChem (CID 174548218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).