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

C11H16Cl3NO2 — CID 52913859

IUPAC2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride
SMILESCl.OCCNCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H
InChIKeyGFCJFYSIPRIHKT-UHFFFAOYSA-N
MW300.61 g/mol
LogP2.77
Rot. Bonds7

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

2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride (PubChem CID 52913859) has the molecular formula C11H16Cl3NO2 and a molecular weight of 300.61 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride
PubChem CID52913859
Molecular FormulaC11H16Cl3NO2
Molecular Weight300.61 g/mol
Exact Mass299.02
IUPAC Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride
SMILESCl.OCCNCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H
InChIKeyGFCJFYSIPRIHKT-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.61
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride?
The IUPAC name of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride (CID 52913859) is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride is Cl.OCCNCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride?
The InChIKey is GFCJFYSIPRIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H.
What are the key properties of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride?
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride has a molecular weight of 300.61 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride is sourced from PubChem (CID 52913859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).