4-[2-(4-iodophenyl)propan-2-yl]morpholine

C13H18INO — CID 66579727

IUPAC4-[2-(4-iodophenyl)propan-2-yl]morpholine
SMILESCC(C)(c1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C13H18INO/c1-13(2,15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyAQCFMORTWIYOLC-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.86
Rot. Bonds2

About 4-[2-(4-iodophenyl)propan-2-yl]morpholine

4-[2-(4-iodophenyl)propan-2-yl]morpholine (PubChem CID 66579727) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[2-(4-iodophenyl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-iodophenyl)propan-2-yl]morpholine
PubChem CID66579727
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-[2-(4-iodophenyl)propan-2-yl]morpholine
SMILESCC(C)(c1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C13H18INO/c1-13(2,15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyAQCFMORTWIYOLC-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-iodophenyl)propan-2-yl]morpholine?
The IUPAC name of 4-[2-(4-iodophenyl)propan-2-yl]morpholine (CID 66579727) is 4-[2-(4-iodophenyl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-(4-iodophenyl)propan-2-yl]morpholine?
The canonical SMILES for 4-[2-(4-iodophenyl)propan-2-yl]morpholine is CC(C)(c1ccc(I)cc1)N1CCOCC1.
What is the InChIKey of 4-[2-(4-iodophenyl)propan-2-yl]morpholine?
The InChIKey is AQCFMORTWIYOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-13(2,15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-iodophenyl)propan-2-yl]morpholine?
4-[2-(4-iodophenyl)propan-2-yl]morpholine has a molecular weight of 331.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-iodophenyl)propan-2-yl]morpholine is sourced from PubChem (CID 66579727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).