2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol

C11H15Cl2NO2 — CID 2262182

IUPAC2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol
SMILESCc1cc(Cl)cc(Cl)c1OCCNCCO
InChIInChI=1S/C11H15Cl2NO2/c1-8-6-9(12)7-10(13)11(8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3
InChIKeySKFPNMHQQQSZRZ-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol

2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol (PubChem CID 2262182) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol
PubChem CID2262182
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol
SMILESCc1cc(Cl)cc(Cl)c1OCCNCCO
InChIInChI=1S/C11H15Cl2NO2/c1-8-6-9(12)7-10(13)11(8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3
InChIKeySKFPNMHQQQSZRZ-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.26
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-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol (CID 2262182) is 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol is Cc1cc(Cl)cc(Cl)c1OCCNCCO.
What is the InChIKey of 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol?
The InChIKey is SKFPNMHQQQSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-8-6-9(12)7-10(13)11(8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3.
What are the key properties of 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol?
2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol has a molecular weight of 264.15 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloro-6-methylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 2262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).