2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol

C11H18N2O2 — CID 69065913

IUPAC2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESNCN(CCO)c1ccccc1CCO
InChIInChI=1S/C11H18N2O2/c12-9-13(6-8-15)11-4-2-1-3-10(11)5-7-14/h1-4,14-15H,5-9,12H2
InChIKeyZWOAZISIVBAGKK-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.06
Rot. Bonds6

About 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol

2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol (PubChem CID 69065913) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol
PubChem CID69065913
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESNCN(CCO)c1ccccc1CCO
InChIInChI=1S/C11H18N2O2/c12-9-13(6-8-15)11-4-2-1-3-10(11)5-7-14/h1-4,14-15H,5-9,12H2
InChIKeyZWOAZISIVBAGKK-UHFFFAOYSA-N
XLogP-0.06
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]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-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol?
The IUPAC name of 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol (CID 69065913) is 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol?
The canonical SMILES for 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol is NCN(CCO)c1ccccc1CCO.
What is the InChIKey of 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol?
The InChIKey is ZWOAZISIVBAGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-9-13(6-8-15)11-4-2-1-3-10(11)5-7-14/h1-4,14-15H,5-9,12H2.
What are the key properties of 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol?
2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[aminomethyl(2-hydroxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 69065913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).