2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol

C10H13BrClNO2 — CID 2299605

IUPAC2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol
SMILESOCCNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO2/c11-8-1-2-10(9(12)7-8)15-6-4-13-3-5-14/h1-2,7,13-14H,3-6H2
InChIKeyLDNSXIBNYVEWIK-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol

2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol (PubChem CID 2299605) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol
PubChem CID2299605
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC Name2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol
SMILESOCCNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO2/c11-8-1-2-10(9(12)7-8)15-6-4-13-3-5-14/h1-2,7,13-14H,3-6H2
InChIKeyLDNSXIBNYVEWIK-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.06
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-(4-bromo-2-chlorophenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol (CID 2299605) is 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol is OCCNCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol?
The InChIKey is LDNSXIBNYVEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2/c11-8-1-2-10(9(12)7-8)15-6-4-13-3-5-14/h1-2,7,13-14H,3-6H2.
What are the key properties of 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol?
2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol has a molecular weight of 294.58 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chlorophenoxy)ethylamino]ethanol is sourced from PubChem (CID 2299605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).