4-[2-aminoethyl(benzyl)amino]oxolan-3-ol

C13H20N2O2 — CID 130503382

IUPAC4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
SMILESNCCN(Cc1ccccc1)C1COCC1O
InChIInChI=1S/C13H20N2O2/c14-6-7-15(12-9-17-10-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
InChIKeyKZYGUGTXYLNLPR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.21
Rot. Bonds5

About 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol

4-[2-aminoethyl(benzyl)amino]oxolan-3-ol (PubChem CID 130503382) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
PubChem CID130503382
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
SMILESNCCN(Cc1ccccc1)C1COCC1O
InChIInChI=1S/C13H20N2O2/c14-6-7-15(12-9-17-10-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
InChIKeyKZYGUGTXYLNLPR-UHFFFAOYSA-N
XLogP0.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol 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 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol?
The IUPAC name of 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol (CID 130503382) is 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol is NCCN(Cc1ccccc1)C1COCC1O.
What is the InChIKey of 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol?
The InChIKey is KZYGUGTXYLNLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-6-7-15(12-9-17-10-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2.
What are the key properties of 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol?
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol has a molecular weight of 236.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(benzyl)amino]oxolan-3-ol is sourced from PubChem (CID 130503382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).