2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol

C11H15BrClNO2 — CID 2297124

IUPAC2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol
SMILESCc1cc(Cl)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C11H15BrClNO2/c1-8-6-9(12)11(10(13)7-8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3
InChIKeyXTVGCERISVTAAD-UHFFFAOYSA-N
MW308.60 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol

2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol (PubChem CID 2297124) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol
PubChem CID2297124
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol
SMILESCc1cc(Cl)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C11H15BrClNO2/c1-8-6-9(12)11(10(13)7-8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3
InChIKeyXTVGCERISVTAAD-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.37
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-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol (CID 2297124) is 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol is Cc1cc(Cl)c(OCCNCCO)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol?
The InChIKey is XTVGCERISVTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c1-8-6-9(12)11(10(13)7-8)16-5-3-14-2-4-15/h6-7,14-15H,2-5H2,1H3.
What are the key properties of 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol?
2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol has a molecular weight of 308.60 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 2297124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).