2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride

C12H16ClNO2 — CID 87063992

IUPAC2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
SMILESCl.O=CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO2.ClH/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13;/h1-5,10,12H,6-9H2;1H
InChIKeyTVDRTWIBLHTRJE-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.68
Rot. Bonds3

About 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride

2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride (PubChem CID 87063992) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
PubChem CID87063992
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
SMILESCl.O=CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO2.ClH/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13;/h1-5,10,12H,6-9H2;1H
InChIKeyTVDRTWIBLHTRJE-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.68
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

4-(1,3-diphenylprop-2-enyl)morpholine
CID 56612112
4-[(E,1S)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
CID 102042754
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[3-(4-methylphenyl)-1-phenylprop-2-enyl]morpholine
CID 3607406
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde
CID 87556127
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87691953
[1,3-oxazolidin-3-yl(phenyl)methyl] formate
CID 174499790
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,4-bis(1-phenylprop-2-enyl)piperazine
CID 67460687
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde
CID 174678253

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride (CID 87063992) is 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride is Cl.O=CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride?
The InChIKey is TVDRTWIBLHTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13;/h1-5,10,12H,6-9H2;1H.
What are the key properties of 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride?
2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride is sourced from PubChem (CID 87063992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).