2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane

C21H38N2O2 — CID 168940416

IUPAC2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
SMILESCC.CC.CC1CCN1C.O=CN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2.C5H11N.2C2H6/c14-10-13-6-7-15-12(9-13)8-11-4-2-1-3-5-11;1-5-3-4-6(5)2;2*1-2/h1-5,10,12H,6-9H2;5H,3-4H2,1-2H3;2*1-2H3
InChIKeySXBQQDIWSLQFFK-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.85
Rot. Bonds3

About 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane

2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane (PubChem CID 168940416) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane.

Molecular Properties

Compound Name2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
PubChem CID168940416
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
SMILESCC.CC.CC1CCN1C.O=CN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO2.C5H11N.2C2H6/c14-10-13-6-7-15-12(9-13)8-11-4-2-1-3-5-11;1-5-3-4-6(5)2;2*1-2/h1-5,10,12H,6-9H2;5H,3-4H2,1-2H3;2*1-2H3
InChIKeySXBQQDIWSLQFFK-UHFFFAOYSA-N
XLogP3.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
2-benzyl-4-dodecylmorpholine
CID 70634633
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388

Frequently Asked Questions

What is the IUPAC name of 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane?
The IUPAC name of 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane (CID 168940416) is 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane.
What is the SMILES notation for 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane?
The canonical SMILES for 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane is CC.CC.CC1CCN1C.O=CN1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane?
The InChIKey is SXBQQDIWSLQFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C5H11N.2C2H6/c14-10-13-6-7-15-12(9-13)8-11-4-2-1-3-5-11;1-5-3-4-6(5)2;2*1-2/h1-5,10,12H,6-9H2;5H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane?
2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane has a molecular weight of 350.55 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane is sourced from PubChem (CID 168940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).