3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium

C11H16Cl2NO2+ — CID 7460356

IUPAC3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCCOc1cc(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/p+1
InChIKeyPKNBUHQTHMWAAT-UHFFFAOYSA-O
MW265.16 g/mol
LogP1.32
Rot. Bonds7

About 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium

3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium (PubChem CID 7460356) has the molecular formula C11H16Cl2NO2+ and a molecular weight of 265.16 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
PubChem CID7460356
Molecular FormulaC11H16Cl2NO2+
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCCOc1cc(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/p+1
InChIKeyPKNBUHQTHMWAAT-UHFFFAOYSA-O
XLogP1.32
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
CID 2247482
butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
CID 172641394
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
2-(2-bromo-4-chlorophenoxy)ethyl-(3-methoxypropyl)azanium
CID 2300001
3-(4-chloro-2-methylphenoxy)propyl-(3-methoxypropyl)azanium
CID 7460478
butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
CID 2247783
5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 109374706
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium?
The IUPAC name of 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium (CID 7460356) is 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium is OCC[NH2+]CCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium?
The InChIKey is PKNBUHQTHMWAAT-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium?
3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium has a molecular weight of 265.16 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 7460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).