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

C13H18INO — CID 174659430

IUPAC2-[2-(4-iodophenyl)propan-2-yl]morpholine
SMILESCC(C)(c1ccc(I)cc1)C1CNCCO1
InChIInChI=1S/C13H18INO/c1-13(2,12-9-15-7-8-16-12)10-3-5-11(14)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKZROVVDGGHKAMM-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.56
Rot. Bonds2

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

2-[2-(4-iodophenyl)propan-2-yl]morpholine (PubChem CID 174659430) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[2-(4-iodophenyl)propan-2-yl]morpholine.

Molecular Properties

Compound Name2-[2-(4-iodophenyl)propan-2-yl]morpholine
PubChem CID174659430
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name2-[2-(4-iodophenyl)propan-2-yl]morpholine
SMILESCC(C)(c1ccc(I)cc1)C1CNCCO1
InChIInChI=1S/C13H18INO/c1-13(2,12-9-15-7-8-16-12)10-3-5-11(14)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKZROVVDGGHKAMM-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 2-[2-(4-iodophenyl)propan-2-yl]morpholine?
The IUPAC name of 2-[2-(4-iodophenyl)propan-2-yl]morpholine (CID 174659430) is 2-[2-(4-iodophenyl)propan-2-yl]morpholine.
What is the SMILES notation for 2-[2-(4-iodophenyl)propan-2-yl]morpholine?
The canonical SMILES for 2-[2-(4-iodophenyl)propan-2-yl]morpholine is CC(C)(c1ccc(I)cc1)C1CNCCO1.
What is the InChIKey of 2-[2-(4-iodophenyl)propan-2-yl]morpholine?
The InChIKey is KZROVVDGGHKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-13(2,12-9-15-7-8-16-12)10-3-5-11(14)6-4-10/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 2-[2-(4-iodophenyl)propan-2-yl]morpholine?
2-[2-(4-iodophenyl)propan-2-yl]morpholine has a molecular weight of 331.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenyl)propan-2-yl]morpholine is sourced from PubChem (CID 174659430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).