2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride

C10H14Cl3NO2 — CID 2923917

IUPAC2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
SMILESCl.OCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H
InChIKeyHUUBYEGMSWXKRN-UHFFFAOYSA-N
MW286.59 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride

2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride (PubChem CID 2923917) has the molecular formula C10H14Cl3NO2 and a molecular weight of 286.59 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
PubChem CID2923917
Molecular FormulaC10H14Cl3NO2
Molecular Weight286.59 g/mol
Exact Mass285.01
IUPAC Name2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
SMILESCl.OCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H
InChIKeyHUUBYEGMSWXKRN-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3,4-dichlorophenoxy)ethylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride (CID 2923917) is 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride is Cl.OCCNCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The InChIKey is HUUBYEGMSWXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H.
What are the key properties of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride has a molecular weight of 286.59 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 2923917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).