3-(2-morpholin-4-ylphenyl)butanal

C14H19NO2 — CID 117338487

IUPAC3-(2-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C14H19NO2/c1-12(6-9-16)13-4-2-3-5-14(13)15-7-10-17-11-8-15/h2-5,9,12H,6-8,10-11H2,1H3
InChIKeyLVUZOWAYMBGESA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds4

About 3-(2-morpholin-4-ylphenyl)butanal

3-(2-morpholin-4-ylphenyl)butanal (PubChem CID 117338487) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylphenyl)butanal.

Molecular Properties

Compound Name3-(2-morpholin-4-ylphenyl)butanal
PubChem CID117338487
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C14H19NO2/c1-12(6-9-16)13-4-2-3-5-14(13)15-7-10-17-11-8-15/h2-5,9,12H,6-8,10-11H2,1H3
InChIKeyLVUZOWAYMBGESA-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-morpholin-4-ylphenyl)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
3-(3-chloro-4-morpholin-4-ylphenyl)butanal
CID 117423190
3-[2-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]butanal
CID 117438273
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214
ethoxy-(2-morpholin-4-ylphenyl)methanol
CID 91211184
1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one
CID 174864806
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
3-bromo-1-(2-morpholin-4-ylphenyl)propane-1,2-diol
CID 171861252
(1R)-3-amino-1-(2-morpholin-4-ylphenyl)propan-1-ol
CID 96818422
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
4-(2-methylsulfinylphenyl)morpholine
CID 173235421

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylphenyl)butanal?
The IUPAC name of 3-(2-morpholin-4-ylphenyl)butanal (CID 117338487) is 3-(2-morpholin-4-ylphenyl)butanal.
What is the SMILES notation for 3-(2-morpholin-4-ylphenyl)butanal?
The canonical SMILES for 3-(2-morpholin-4-ylphenyl)butanal is CC(CC=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylphenyl)butanal?
The InChIKey is LVUZOWAYMBGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(6-9-16)13-4-2-3-5-14(13)15-7-10-17-11-8-15/h2-5,9,12H,6-8,10-11H2,1H3.
What are the key properties of 3-(2-morpholin-4-ylphenyl)butanal?
3-(2-morpholin-4-ylphenyl)butanal has a molecular weight of 233.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylphenyl)butanal is sourced from PubChem (CID 117338487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).