4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine

C16H18INO — CID 122541325

IUPAC4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
SMILESCC(c1ccc(I)c2ccccc12)N1CCOCC1
InChIInChI=1S/C16H18INO/c1-12(18-8-10-19-11-9-18)13-6-7-16(17)15-5-3-2-4-14(13)15/h2-7,12H,8-11H2,1H3
InChIKeyQGDWDSBXYRKPTD-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.84
Rot. Bonds2

About 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine

4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine (PubChem CID 122541325) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
PubChem CID122541325
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
SMILESCC(c1ccc(I)c2ccccc12)N1CCOCC1
InChIInChI=1S/C16H18INO/c1-12(18-8-10-19-11-9-18)13-6-7-16(17)15-5-3-2-4-14(13)15/h2-7,12H,8-11H2,1H3
InChIKeyQGDWDSBXYRKPTD-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine?
The IUPAC name of 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine (CID 122541325) is 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine is CC(c1ccc(I)c2ccccc12)N1CCOCC1.
What is the InChIKey of 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine?
The InChIKey is QGDWDSBXYRKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-12(18-8-10-19-11-9-18)13-6-7-16(17)15-5-3-2-4-14(13)15/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine?
4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine has a molecular weight of 367.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine is sourced from PubChem (CID 122541325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).