4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine

C13H17BrClNO2 — CID 2299295

IUPAC4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine
SMILESClc1cc(Br)ccc1OCCCN1CCOCC1
InChIInChI=1S/C13H17BrClNO2/c14-11-2-3-13(12(15)10-11)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9H2
InChIKeyWRBAMCNZONKTIH-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.20
Rot. Bonds5

About 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine

4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine (PubChem CID 2299295) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine
PubChem CID2299295
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine
SMILESClc1cc(Br)ccc1OCCCN1CCOCC1
InChIInChI=1S/C13H17BrClNO2/c14-11-2-3-13(12(15)10-11)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9H2
InChIKeyWRBAMCNZONKTIH-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
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 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine (CID 2299295) is 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine is Clc1cc(Br)ccc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine?
The InChIKey is WRBAMCNZONKTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c14-11-2-3-13(12(15)10-11)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9H2.
What are the key properties of 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine?
4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine has a molecular weight of 334.64 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-chlorophenoxy)propyl]morpholine is sourced from PubChem (CID 2299295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).