(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine

C11H14ClNO — CID 39242981

IUPAC(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1
InChIInChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
InChIKeyDAGWNRUYMBGFSV-KWQFWETISA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds1

About (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine

(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine (PubChem CID 39242981) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine
PubChem CID39242981
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1
InChIInChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
InChIKeyDAGWNRUYMBGFSV-KWQFWETISA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine?
The IUPAC name of (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine (CID 39242981) is (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine.
What is the SMILES notation for (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine?
The canonical SMILES for (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine is C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1.
What is the InChIKey of (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine?
The InChIKey is DAGWNRUYMBGFSV-KWQFWETISA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1.
What are the key properties of (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine?
(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine has a molecular weight of 211.69 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine is sourced from PubChem (CID 39242981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).