ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline

C16H21N3O — CID 87488741

IUPACethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
SMILESCCO.Cc1ccccc1/N=N/c1c(C)cccc1N
InChIInChI=1S/C14H15N3.C2H6O/c1-10-6-3-4-9-13(10)16-17-14-11(2)7-5-8-12(14)15;1-2-3/h3-9H,15H2,1-2H3;3H,2H2,1H3/b17-16+;
InChIKeyAHXMUKMPXHVZON-CMBBICFISA-N
MW271.36 g/mol
LogP4.30
Rot. Bonds2

About ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline

ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline (PubChem CID 87488741) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline.

Molecular Properties

Compound Nameethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
PubChem CID87488741
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Nameethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
SMILESCCO.Cc1ccccc1/N=N/c1c(C)cccc1N
InChIInChI=1S/C14H15N3.C2H6O/c1-10-6-3-4-9-13(10)16-17-14-11(2)7-5-8-12(14)15;1-2-3/h3-9H,15H2,1-2H3;3H,2H2,1H3/b17-16+;
InChIKeyAHXMUKMPXHVZON-CMBBICFISA-N
XLogP4.30
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline?
The IUPAC name of ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline (CID 87488741) is ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline.
What is the SMILES notation for ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline?
The canonical SMILES for ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline is CCO.Cc1ccccc1/N=N/c1c(C)cccc1N.
What is the InChIKey of ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline?
The InChIKey is AHXMUKMPXHVZON-CMBBICFISA-N. The full InChI is InChI=1S/C14H15N3.C2H6O/c1-10-6-3-4-9-13(10)16-17-14-11(2)7-5-8-12(14)15;1-2-3/h3-9H,15H2,1-2H3;3H,2H2,1H3/b17-16+;.
What are the key properties of ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline?
ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline is sourced from PubChem (CID 87488741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).