4-[2-(4-chlorophenyl)propyl]morpholine

C13H18ClNO — CID 71726193

IUPAC4-[2-(4-chlorophenyl)propyl]morpholine
SMILESCC(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-11(10-15-6-8-16-9-7-15)12-2-4-13(14)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyXPJXTHACIUZDSX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.78
Rot. Bonds3

About 4-[2-(4-chlorophenyl)propyl]morpholine

4-[2-(4-chlorophenyl)propyl]morpholine (PubChem CID 71726193) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)propyl]morpholine
PubChem CID71726193
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-[2-(4-chlorophenyl)propyl]morpholine
SMILESCC(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-11(10-15-6-8-16-9-7-15)12-2-4-13(14)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyXPJXTHACIUZDSX-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)propyl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)propyl]morpholine (CID 71726193) is 4-[2-(4-chlorophenyl)propyl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)propyl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)propyl]morpholine is CC(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)propyl]morpholine?
The InChIKey is XPJXTHACIUZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-11(10-15-6-8-16-9-7-15)12-2-4-13(14)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)propyl]morpholine?
4-[2-(4-chlorophenyl)propyl]morpholine has a molecular weight of 239.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)propyl]morpholine is sourced from PubChem (CID 71726193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).