2-(2,4-dimethylanilino)ethynol

C10H11NO — CID 144615243

IUPAC2-(2,4-dimethylanilino)ethynol
SMILESCc1ccc(NC#CO)c(C)c1
InChIInChI=1S/C10H11NO/c1-8-3-4-10(9(2)7-8)11-5-6-12/h3-4,7,11-12H,1-2H3
InChIKeyJNHKIRFZCJYQSM-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.01
Rot. Bonds1

About 2-(2,4-dimethylanilino)ethynol

2-(2,4-dimethylanilino)ethynol (PubChem CID 144615243) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)ethynol.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)ethynol
PubChem CID144615243
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(2,4-dimethylanilino)ethynol
SMILESCc1ccc(NC#CO)c(C)c1
InChIInChI=1S/C10H11NO/c1-8-3-4-10(9(2)7-8)11-5-6-12/h3-4,7,11-12H,1-2H3
InChIKeyJNHKIRFZCJYQSM-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylanilino)ethynol with MolForge

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

Launch Full Analysis

Related Compounds

N,2,4-trimethylaniline;hydrochloride
CID 18686602
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
CID 86134695
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
CID 172763014
CID 172763014
1-(2,4-dimethylphenyl)-3-prop-2-ynylurea
CID 97180603
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)ethynol?
The IUPAC name of 2-(2,4-dimethylanilino)ethynol (CID 144615243) is 2-(2,4-dimethylanilino)ethynol.
What is the SMILES notation for 2-(2,4-dimethylanilino)ethynol?
The canonical SMILES for 2-(2,4-dimethylanilino)ethynol is Cc1ccc(NC#CO)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)ethynol?
The InChIKey is JNHKIRFZCJYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-3-4-10(9(2)7-8)11-5-6-12/h3-4,7,11-12H,1-2H3.
What are the key properties of 2-(2,4-dimethylanilino)ethynol?
2-(2,4-dimethylanilino)ethynol has a molecular weight of 161.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)ethynol is sourced from PubChem (CID 144615243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).