(3R,5S)-3-methyl-5-phenylmorpholine

C11H15NO — CID 86317103

IUPAC(3R,5S)-3-methyl-5-phenylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H15NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyCFYYZVBTTYROOE-MWLCHTKSSA-N
MW177.25 g/mol
LogP1.74
Rot. Bonds1

About (3R,5S)-3-methyl-5-phenylmorpholine

(3R,5S)-3-methyl-5-phenylmorpholine (PubChem CID 86317103) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3R,5S)-3-methyl-5-phenylmorpholine.

Molecular Properties

Compound Name(3R,5S)-3-methyl-5-phenylmorpholine
PubChem CID86317103
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3R,5S)-3-methyl-5-phenylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H15NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyCFYYZVBTTYROOE-MWLCHTKSSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methyl-5-phenylmorpholine?
The IUPAC name of (3R,5S)-3-methyl-5-phenylmorpholine (CID 86317103) is (3R,5S)-3-methyl-5-phenylmorpholine.
What is the SMILES notation for (3R,5S)-3-methyl-5-phenylmorpholine?
The canonical SMILES for (3R,5S)-3-methyl-5-phenylmorpholine is C[C@@H]1COC[C@H](c2ccccc2)N1.
What is the InChIKey of (3R,5S)-3-methyl-5-phenylmorpholine?
The InChIKey is CFYYZVBTTYROOE-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (3R,5S)-3-methyl-5-phenylmorpholine?
(3R,5S)-3-methyl-5-phenylmorpholine has a molecular weight of 177.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methyl-5-phenylmorpholine is sourced from PubChem (CID 86317103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).