(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine

C14H21NO3 — CID 21077382

IUPAC(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine
SMILESCOC1CN(Cc2ccccc2)[C@H](C)[C@H](OC)O1
InChIInChI=1S/C14H21NO3/c1-11-14(17-3)18-13(16-2)10-15(11)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13?,14-/m1/s1
InChIKeyCOESCVZOALZZBO-AODWJNRKSA-N
MW251.33 g/mol
LogP1.85
Rot. Bonds4

About (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine

(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine (PubChem CID 21077382) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine.

Molecular Properties

Compound Name(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine
PubChem CID21077382
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine
SMILESCOC1CN(Cc2ccccc2)[C@H](C)[C@H](OC)O1
InChIInChI=1S/C14H21NO3/c1-11-14(17-3)18-13(16-2)10-15(11)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13?,14-/m1/s1
InChIKeyCOESCVZOALZZBO-AODWJNRKSA-N
XLogP1.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
CID 139578462
4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
CID 174649053
5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
CID 83851212
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine?
The IUPAC name of (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine (CID 21077382) is (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine.
What is the SMILES notation for (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine?
The canonical SMILES for (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine is COC1CN(Cc2ccccc2)[C@H](C)[C@H](OC)O1.
What is the InChIKey of (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine?
The InChIKey is COESCVZOALZZBO-AODWJNRKSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-14(17-3)18-13(16-2)10-15(11)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13?,14-/m1/s1.
What are the key properties of (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine?
(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine has a molecular weight of 251.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine is sourced from PubChem (CID 21077382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).