2-[2-(benzylamino)ethoxy]ethanol;hydrochloride

C11H18ClNO2 — CID 17155122

IUPAC2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1ccccc1
InChIInChI=1S/C11H17NO2.ClH/c13-7-9-14-8-6-12-10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H
InChIKeyNXGUNBIVOURQPI-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.21
Rot. Bonds7

About 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride

2-[2-(benzylamino)ethoxy]ethanol;hydrochloride (PubChem CID 17155122) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
PubChem CID17155122
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1ccccc1
InChIInChI=1S/C11H17NO2.ClH/c13-7-9-14-8-6-12-10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H
InChIKeyNXGUNBIVOURQPI-UHFFFAOYSA-N
XLogP1.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride 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

2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
2-[(benzylamino)methoxy]ethanol
CID 118685935
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride (CID 17155122) is 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride is Cl.OCCOCCNCc1ccccc1.
What is the InChIKey of 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride?
The InChIKey is NXGUNBIVOURQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c13-7-9-14-8-6-12-10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H.
What are the key properties of 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride?
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17155122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).