[2-(2,6-dichlorophenoxy)ethylamino]azanium

C8H11Cl2N2O+ — CID 3798877

IUPAC[2-(2,6-dichlorophenoxy)ethylamino]azanium
SMILES[NH3+]NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-6-2-1-3-7(10)8(6)13-5-4-12-11/h1-3,12H,4-5,11H2/p+1
InChIKeyISFRQPYFMIVDTO-UHFFFAOYSA-O
MW222.09 g/mol
LogP1.12
Rot. Bonds4

About [2-(2,6-dichlorophenoxy)ethylamino]azanium

[2-(2,6-dichlorophenoxy)ethylamino]azanium (PubChem CID 3798877) has the molecular formula C8H11Cl2N2O+ and a molecular weight of 222.09 g/mol. Its IUPAC name is [2-(2,6-dichlorophenoxy)ethylamino]azanium.

Molecular Properties

Compound Name[2-(2,6-dichlorophenoxy)ethylamino]azanium
PubChem CID3798877
Molecular FormulaC8H11Cl2N2O+
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name[2-(2,6-dichlorophenoxy)ethylamino]azanium
SMILES[NH3+]NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-6-2-1-3-7(10)8(6)13-5-4-12-11/h1-3,12H,4-5,11H2/p+1
InChIKeyISFRQPYFMIVDTO-UHFFFAOYSA-O
XLogP1.12
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorophenoxy)ethylamino]azanium?
The IUPAC name of [2-(2,6-dichlorophenoxy)ethylamino]azanium (CID 3798877) is [2-(2,6-dichlorophenoxy)ethylamino]azanium.
What is the SMILES notation for [2-(2,6-dichlorophenoxy)ethylamino]azanium?
The canonical SMILES for [2-(2,6-dichlorophenoxy)ethylamino]azanium is [NH3+]NCCOc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichlorophenoxy)ethylamino]azanium?
The InChIKey is ISFRQPYFMIVDTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10Cl2N2O/c9-6-2-1-3-7(10)8(6)13-5-4-12-11/h1-3,12H,4-5,11H2/p+1.
What are the key properties of [2-(2,6-dichlorophenoxy)ethylamino]azanium?
[2-(2,6-dichlorophenoxy)ethylamino]azanium has a molecular weight of 222.09 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorophenoxy)ethylamino]azanium is sourced from PubChem (CID 3798877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).