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

C11H15Cl2NO2 — CID 2250975

IUPAC2-[3-(2,3-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2/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
InChIKeyQVEIRCZEBQRCTR-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.34
Rot. Bonds7

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

2-[3-(2,3-dichlorophenoxy)propylamino]ethanol (PubChem CID 2250975) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol
PubChem CID2250975
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2/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
InChIKeyQVEIRCZEBQRCTR-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.34
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?
The IUPAC name of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol (CID 2250975) is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol is OCCNCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol?
The InChIKey is QVEIRCZEBQRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/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.
What are the key properties of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol?
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol has a molecular weight of 264.15 g/mol, XLogP of 2.34, 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 is sourced from PubChem (CID 2250975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).