1-[3-methyl-2-(methyldiazenyl)anilino]ethanol

C10H15N3O — CID 134239529

IUPAC1-[3-methyl-2-(methyldiazenyl)anilino]ethanol
SMILESC/N=N/c1c(C)cccc1NC(C)O
InChIInChI=1S/C10H15N3O/c1-7-5-4-6-9(12-8(2)14)10(7)13-11-3/h4-6,8,12,14H,1-3H3/b13-11+
InChIKeySIDAPLDEUPEKOX-ACCUITESSA-N
MW193.25 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol

1-[3-methyl-2-(methyldiazenyl)anilino]ethanol (PubChem CID 134239529) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol.

Molecular Properties

Compound Name1-[3-methyl-2-(methyldiazenyl)anilino]ethanol
PubChem CID134239529
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[3-methyl-2-(methyldiazenyl)anilino]ethanol
SMILESC/N=N/c1c(C)cccc1NC(C)O
InChIInChI=1S/C10H15N3O/c1-7-5-4-6-9(12-8(2)14)10(7)13-11-3/h4-6,8,12,14H,1-3H3/b13-11+
InChIKeySIDAPLDEUPEKOX-ACCUITESSA-N
XLogP2.46
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.46
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol?
The IUPAC name of 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol (CID 134239529) is 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol.
What is the SMILES notation for 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol?
The canonical SMILES for 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol is C/N=N/c1c(C)cccc1NC(C)O.
What is the InChIKey of 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol?
The InChIKey is SIDAPLDEUPEKOX-ACCUITESSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-4-6-9(12-8(2)14)10(7)13-11-3/h4-6,8,12,14H,1-3H3/b13-11+.
What are the key properties of 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol?
1-[3-methyl-2-(methyldiazenyl)anilino]ethanol has a molecular weight of 193.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(methyldiazenyl)anilino]ethanol is sourced from PubChem (CID 134239529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).