4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde

C21H24N2O3 — CID 175896939

IUPAC4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2c(-c3cccc(OCCN4CCOCC4)c3)cccc21
InChIInChI=1S/C21H24N2O3/c24-16-23-8-7-20-19(5-2-6-21(20)23)17-3-1-4-18(15-17)26-14-11-22-9-12-25-13-10-22/h1-6,15-16H,7-14H2
InChIKeyZPFPQWLNWLGPBD-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.58
Rot. Bonds6

About 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde

4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde (PubChem CID 175896939) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde
PubChem CID175896939
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2c(-c3cccc(OCCN4CCOCC4)c3)cccc21
InChIInChI=1S/C21H24N2O3/c24-16-23-8-7-20-19(5-2-6-21(20)23)17-3-1-4-18(15-17)26-14-11-22-9-12-25-13-10-22/h1-6,15-16H,7-14H2
InChIKeyZPFPQWLNWLGPBD-UHFFFAOYSA-N
XLogP2.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.58
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-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
CID 18403518
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde (CID 175896939) is 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde is O=CN1CCc2c(-c3cccc(OCCN4CCOCC4)c3)cccc21.
What is the InChIKey of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is ZPFPQWLNWLGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-16-23-8-7-20-19(5-2-6-21(20)23)17-3-1-4-18(15-17)26-14-11-22-9-12-25-13-10-22/h1-6,15-16H,7-14H2.
What are the key properties of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde?
4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 352.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 175896939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).