4-[3-(4-iodophenyl)propyl]morpholine

C13H18INO — CID 143873101

IUPAC4-[3-(4-iodophenyl)propyl]morpholine
SMILESIc1ccc(CCCN2CCOCC2)cc1
InChIInChI=1S/C13H18INO/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h3-6H,1-2,7-11H2
InChIKeyMZZPRDKTJIKUGZ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.56
Rot. Bonds4

About 4-[3-(4-iodophenyl)propyl]morpholine

4-[3-(4-iodophenyl)propyl]morpholine (PubChem CID 143873101) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[3-(4-iodophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-iodophenyl)propyl]morpholine
PubChem CID143873101
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-[3-(4-iodophenyl)propyl]morpholine
SMILESIc1ccc(CCCN2CCOCC2)cc1
InChIInChI=1S/C13H18INO/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h3-6H,1-2,7-11H2
InChIKeyMZZPRDKTJIKUGZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
CID 170870126
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-iodophenyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-iodophenyl)propyl]morpholine (CID 143873101) is 4-[3-(4-iodophenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-iodophenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-iodophenyl)propyl]morpholine is Ic1ccc(CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-iodophenyl)propyl]morpholine?
The InChIKey is MZZPRDKTJIKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h3-6H,1-2,7-11H2.
What are the key properties of 4-[3-(4-iodophenyl)propyl]morpholine?
4-[3-(4-iodophenyl)propyl]morpholine has a molecular weight of 331.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-iodophenyl)propyl]morpholine is sourced from PubChem (CID 143873101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).