2-[3-(2,5-dichlorophenoxy)propylamino]ethanol

C11H15Cl2NO2 — CID 2865584

IUPAC2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-9-2-3-10(13)11(8-9)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2
InChIKeyPKNBUHQTHMWAAT-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.34
Rot. Bonds7

About 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol

2-[3-(2,5-dichlorophenoxy)propylamino]ethanol (PubChem CID 2865584) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
PubChem CID2865584
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-9-2-3-10(13)11(8-9)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2
InChIKeyPKNBUHQTHMWAAT-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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Related Compounds

2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CID 7460356
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2869977
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928
oxalic acid;2-[3-(2,4,6-trichlorophenoxy)propylamino]ethanol
CID 2865543
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
2,4-dichlorophenol;2-(2-hydroxyethylamino)ethanol
CID 70614272

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol (CID 2865584) is 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol is OCCNCCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol?
The InChIKey is PKNBUHQTHMWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-9-2-3-10(13)11(8-9)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2.
What are the key properties of 2-[3-(2,5-dichlorophenoxy)propylamino]ethanol?
2-[3-(2,5-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-(2,5-dichlorophenoxy)propylamino]ethanol is sourced from PubChem (CID 2865584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).