4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine

C15H22INO — CID 102745314

IUPAC4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(Cc2ccc(I)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22INO/c1-14(2)10-17(11-15(3,4)18-14)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyXDCFQKCFDNJDGT-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.68
Rot. Bonds2

About 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine

4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 102745314) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine
PubChem CID102745314
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC Name4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(Cc2ccc(I)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22INO/c1-14(2)10-17(11-15(3,4)18-14)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyXDCFQKCFDNJDGT-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.68
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-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methanol
CID 102745130
3-[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102745342
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzoic acid
CID 106699430
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
4-[(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)methyl]benzoic acid
CID 122033298
3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 102743954
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 165487496
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102743422
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine (CID 102745314) is 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine is CC1(C)CN(Cc2ccc(I)cc2)CC(C)(C)O1.
What is the InChIKey of 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is XDCFQKCFDNJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-14(2)10-17(11-15(3,4)18-14)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3.
What are the key properties of 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine?
4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 359.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).