(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine

C12H15ClINO2 — CID 58005244

IUPAC(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCO[C@H](COc2ccc(Cl)cc2I)C1
InChIInChI=1S/C12H15ClINO2/c1-15-4-5-16-10(7-15)8-17-12-3-2-9(13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1
InChIKeyXDBDFFUZOPNZPA-JTQLQIEISA-N
MW367.61 g/mol
LogP2.65
Rot. Bonds3

About (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine

(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine (PubChem CID 58005244) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
PubChem CID58005244
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC Name(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCO[C@H](COc2ccc(Cl)cc2I)C1
InChIInChI=1S/C12H15ClINO2/c1-15-4-5-16-10(7-15)8-17-12-3-2-9(13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1
InChIKeyXDBDFFUZOPNZPA-JTQLQIEISA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine?
The IUPAC name of (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine (CID 58005244) is (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine.
What is the SMILES notation for (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine?
The canonical SMILES for (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine is CN1CCO[C@H](COc2ccc(Cl)cc2I)C1.
What is the InChIKey of (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine?
The InChIKey is XDBDFFUZOPNZPA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15ClINO2/c1-15-4-5-16-10(7-15)8-17-12-3-2-9(13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine?
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine has a molecular weight of 367.61 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine is sourced from PubChem (CID 58005244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).