(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine

C14H21NO2 — CID 164532988

IUPAC(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
SMILESCOC[C@H]1[C@H](C)OCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-14(11-16-2)15(8-9-17-12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyAWWFYPGWUBEUKA-JSGCOSHPSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds4

About (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine

(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine (PubChem CID 164532988) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
PubChem CID164532988
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
SMILESCOC[C@H]1[C@H](C)OCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-14(11-16-2)15(8-9-17-12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyAWWFYPGWUBEUKA-JSGCOSHPSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
(4aR,7aR)-4-benzyl-6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339232
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
CID 174649053
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine?
The IUPAC name of (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine (CID 164532988) is (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine.
What is the SMILES notation for (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine?
The canonical SMILES for (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine is COC[C@H]1[C@H](C)OCCN1Cc1ccccc1.
What is the InChIKey of (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine?
The InChIKey is AWWFYPGWUBEUKA-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-14(11-16-2)15(8-9-17-12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine?
(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine is sourced from PubChem (CID 164532988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).