(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine

C16H24INO2 — CID 2182517

IUPAC(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCCOc2ccc(I)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24INO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyRLYSFUFLEUQWFN-KBPBESRZSA-N
MW389.28 g/mol
LogP3.56
Rot. Bonds6

About (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine

(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine (PubChem CID 2182517) has the molecular formula C16H24INO2 and a molecular weight of 389.28 g/mol. Its IUPAC name is (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
PubChem CID2182517
Molecular FormulaC16H24INO2
Molecular Weight389.28 g/mol
Exact Mass389.09
IUPAC Name(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCCOc2ccc(I)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24INO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyRLYSFUFLEUQWFN-KBPBESRZSA-N
XLogP3.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine (CID 2182517) is (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine is C[C@H]1CN(CCCCOc2ccc(I)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine?
The InChIKey is RLYSFUFLEUQWFN-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24INO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine has a molecular weight of 389.28 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).