2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol

C14H19NO2 — CID 113468027

IUPAC2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol
SMILESCOCCN(CC#Cc1ccccc1)CCO
InChIInChI=1S/C14H19NO2/c1-17-13-11-15(10-12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,16H,9-13H2,1H3
InChIKeyXWPCWNJWZHVJHH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol

2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol (PubChem CID 113468027) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol
PubChem CID113468027
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol
SMILESCOCCN(CC#Cc1ccccc1)CCO
InChIInChI=1S/C14H19NO2/c1-17-13-11-15(10-12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,16H,9-13H2,1H3
InChIKeyXWPCWNJWZHVJHH-UHFFFAOYSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]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-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol (CID 113468027) is 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol is COCCN(CC#Cc1ccccc1)CCO.
What is the InChIKey of 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol?
The InChIKey is XWPCWNJWZHVJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13-11-15(10-12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,16H,9-13H2,1H3.
What are the key properties of 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol?
2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol is sourced from PubChem (CID 113468027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).