2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol

C12H17NO2 — CID 69382190

IUPAC2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESC=Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C12H17NO2/c1-2-11-3-5-12(6-4-11)13(7-9-14)8-10-15/h2-6,14-15H,1,7-10H2
InChIKeyDRAGRFKZFZQJFE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.12
Rot. Bonds6

About 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol

2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 69382190) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID69382190
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESC=Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C12H17NO2/c1-2-11-3-5-12(6-4-11)13(7-9-14)8-10-15/h2-6,14-15H,1,7-10H2
InChIKeyDRAGRFKZFZQJFE-UHFFFAOYSA-N
XLogP1.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 2-[4-ethenyl-N-(2-hydroxyethyl)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 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol (CID 69382190) is 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol is C=Cc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is DRAGRFKZFZQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-11-3-5-12(6-4-11)13(7-9-14)8-10-15/h2-6,14-15H,1,7-10H2.
What are the key properties of 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 69382190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).