(2S,3S)-4-benzyl-2,3-dimethylmorpholine

C13H19NO — CID 118558682

IUPAC(2S,3S)-4-benzyl-2,3-dimethylmorpholine
SMILESC[C@@H]1OCCN(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C13H19NO/c1-11-12(2)15-9-8-14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyBLWKKFHAEBJAEQ-RYUDHWBXSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds2

About (2S,3S)-4-benzyl-2,3-dimethylmorpholine

(2S,3S)-4-benzyl-2,3-dimethylmorpholine (PubChem CID 118558682) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S,3S)-4-benzyl-2,3-dimethylmorpholine.

Molecular Properties

Compound Name(2S,3S)-4-benzyl-2,3-dimethylmorpholine
PubChem CID118558682
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S,3S)-4-benzyl-2,3-dimethylmorpholine
SMILESC[C@@H]1OCCN(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C13H19NO/c1-11-12(2)15-9-8-14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyBLWKKFHAEBJAEQ-RYUDHWBXSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-3-methylmorpholin-2-amine
CID 154296445
(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
CID 164532988
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(4aR,7aR)-4-benzyl-6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339232
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-benzyl-2,3-dimethylmorpholine?
The IUPAC name of (2S,3S)-4-benzyl-2,3-dimethylmorpholine (CID 118558682) is (2S,3S)-4-benzyl-2,3-dimethylmorpholine.
What is the SMILES notation for (2S,3S)-4-benzyl-2,3-dimethylmorpholine?
The canonical SMILES for (2S,3S)-4-benzyl-2,3-dimethylmorpholine is C[C@@H]1OCCN(Cc2ccccc2)[C@H]1C.
What is the InChIKey of (2S,3S)-4-benzyl-2,3-dimethylmorpholine?
The InChIKey is BLWKKFHAEBJAEQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-12(2)15-9-8-14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-4-benzyl-2,3-dimethylmorpholine?
(2S,3S)-4-benzyl-2,3-dimethylmorpholine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-benzyl-2,3-dimethylmorpholine is sourced from PubChem (CID 118558682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).