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

C14H19BrClNO3 — CID 2297135

IUPAC4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
SMILESClc1cc(Br)ccc1OCCOCCN1CCOCC1
InChIInChI=1S/C14H19BrClNO3/c15-12-1-2-14(13(16)11-12)20-10-9-19-8-5-17-3-6-18-7-4-17/h1-2,11H,3-10H2
InChIKeyCDNYXPCEFPPPAW-UHFFFAOYSA-N
MW364.67 g/mol
LogP2.83
Rot. Bonds7

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

4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine (PubChem CID 2297135) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
PubChem CID2297135
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
SMILESClc1cc(Br)ccc1OCCOCCN1CCOCC1
InChIInChI=1S/C14H19BrClNO3/c15-12-1-2-14(13(16)11-12)20-10-9-19-8-5-17-3-6-18-7-4-17/h1-2,11H,3-10H2
InChIKeyCDNYXPCEFPPPAW-UHFFFAOYSA-N
XLogP2.83
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine (CID 2297135) is 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine is Clc1cc(Br)ccc1OCCOCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine?
The InChIKey is CDNYXPCEFPPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO3/c15-12-1-2-14(13(16)11-12)20-10-9-19-8-5-17-3-6-18-7-4-17/h1-2,11H,3-10H2.
What are the key properties of 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine?
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine has a molecular weight of 364.67 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 2297135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).