4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde

C15H21NO3 — CID 174649053

IUPAC4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
SMILESCOCC1OC(C)CN(Cc2ccccc2)C1C=O
InChIInChI=1S/C15H21NO3/c1-12-8-16(9-13-6-4-3-5-7-13)14(10-17)15(19-12)11-18-2/h3-7,10,12,14-15H,8-9,11H2,1-2H3
InChIKeyDJNSEQTWNNWCTB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds5

About 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde

4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde (PubChem CID 174649053) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
PubChem CID174649053
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
SMILESCOCC1OC(C)CN(Cc2ccccc2)C1C=O
InChIInChI=1S/C15H21NO3/c1-12-8-16(9-13-6-4-3-5-7-13)14(10-17)15(19-12)11-18-2/h3-7,10,12,14-15H,8-9,11H2,1-2H3
InChIKeyDJNSEQTWNNWCTB-UHFFFAOYSA-N
XLogP1.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde
CID 175286087
1-benzyl-3-methylpiperidine-2-carbaldehyde
CID 100994967
(2R,3R)-4-benzyl-2,6-dimethoxy-3-methylmorpholine
CID 21077382
(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
CID 164532988
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
2-(1-benzyl-3-methylazetidin-2-yl)acetaldehyde
CID 123968798
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
N-[(3S,4R,5R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-formylpyrrolidin-3-yl]acetamide
CID 90061343
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
tert-butyl (1R,2S,5S)-3-benzyl-2-formyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 167494917
N-[(4aR,5S,8S,8aR)-6-benzyl-5-formyl-2,2,3,3-tetramethyl-5,7,8,8a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyridin-8-yl]acetamide
CID 90005076

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde?
The IUPAC name of 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde (CID 174649053) is 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde.
What is the SMILES notation for 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde?
The canonical SMILES for 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde is COCC1OC(C)CN(Cc2ccccc2)C1C=O.
What is the InChIKey of 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde?
The InChIKey is DJNSEQTWNNWCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-8-16(9-13-6-4-3-5-7-13)14(10-17)15(19-12)11-18-2/h3-7,10,12,14-15H,8-9,11H2,1-2H3.
What are the key properties of 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde?
4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde is sourced from PubChem (CID 174649053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).