(2S,3S)-3,4-dimethyl-2-phenylmorpholine

C12H17NO — CID 30487

IUPAC(2S,3S)-3,4-dimethyl-2-phenylmorpholine
SMILESC[C@H]1[C@H](c2ccccc2)OCCN1C
InChIInChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyMFOCDFTXLCYLKU-CMPLNLGQSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds1

About (2S,3S)-3,4-dimethyl-2-phenylmorpholine

(2S,3S)-3,4-dimethyl-2-phenylmorpholine (PubChem CID 30487) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,3S)-3,4-dimethyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S,3S)-3,4-dimethyl-2-phenylmorpholine
PubChem CID30487
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,3S)-3,4-dimethyl-2-phenylmorpholine
SMILESC[C@H]1[C@H](c2ccccc2)OCCN1C
InChIInChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyMFOCDFTXLCYLKU-CMPLNLGQSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Diphenylpyraline Hydrochloride
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med.21724, Compound Benztropine
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Methylephedrine
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Ethybenztropine
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,4-dimethyl-2-phenylmorpholine?
The IUPAC name of (2S,3S)-3,4-dimethyl-2-phenylmorpholine (CID 30487) is (2S,3S)-3,4-dimethyl-2-phenylmorpholine.
What is the SMILES notation for (2S,3S)-3,4-dimethyl-2-phenylmorpholine?
The canonical SMILES for (2S,3S)-3,4-dimethyl-2-phenylmorpholine is C[C@H]1[C@H](c2ccccc2)OCCN1C.
What is the InChIKey of (2S,3S)-3,4-dimethyl-2-phenylmorpholine?
The InChIKey is MFOCDFTXLCYLKU-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (2S,3S)-3,4-dimethyl-2-phenylmorpholine?
(2S,3S)-3,4-dimethyl-2-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,4-dimethyl-2-phenylmorpholine is sourced from PubChem (CID 30487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).