2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol

C12H18BrNO2 — CID 39292056

IUPAC2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(C)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyQOZNOKFOOZYLQT-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol

2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol (PubChem CID 39292056) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
PubChem CID39292056
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(C)c(OCCNCCO)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyQOZNOKFOOZYLQT-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.03
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-4,6-dimethylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol (CID 39292056) is 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol is Cc1cc(C)c(OCCNCCO)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
The InChIKey is QOZNOKFOOZYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9-7-10(2)12(11(13)8-9)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol?
2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.03, 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-4,6-dimethylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 39292056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).