4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine

C12H15BrClNO2 — CID 803740

IUPAC4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine
SMILESClc1cc(Br)ccc1OCCN1CCOCC1
InChIInChI=1S/C12H15BrClNO2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8H2
InChIKeyBKLSJDMWTKQUKQ-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.81
Rot. Bonds4

About 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine

4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine (PubChem CID 803740) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine
PubChem CID803740
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine
SMILESClc1cc(Br)ccc1OCCN1CCOCC1
InChIInChI=1S/C12H15BrClNO2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8H2
InChIKeyBKLSJDMWTKQUKQ-UHFFFAOYSA-N
XLogP2.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine (CID 803740) is 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine is Clc1cc(Br)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine?
The InChIKey is BKLSJDMWTKQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8H2.
What are the key properties of 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine?
4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine has a molecular weight of 320.61 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-chlorophenoxy)ethyl]morpholine is sourced from PubChem (CID 803740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).