2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde

C15H20N2O2 — CID 87691953

IUPAC2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
SMILESO=CC(c1ccc2c(c1)CCNC2)N1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-11-15(17-5-7-19-8-6-17)13-1-2-14-10-16-4-3-12(14)9-13/h1-2,9,11,15-16H,3-8,10H2
InChIKeyIWEXSILQLWAHGE-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.90
Rot. Bonds3

About 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde

2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde (PubChem CID 87691953) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
PubChem CID87691953
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
SMILESO=CC(c1ccc2c(c1)CCNC2)N1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-11-15(17-5-7-19-8-6-17)13-1-2-14-10-16-4-3-12(14)9-13/h1-2,9,11,15-16H,3-8,10H2
InChIKeyIWEXSILQLWAHGE-UHFFFAOYSA-N
XLogP0.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The IUPAC name of 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde (CID 87691953) is 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The canonical SMILES for 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde is O=CC(c1ccc2c(c1)CCNC2)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The InChIKey is IWEXSILQLWAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-11-15(17-5-7-19-8-6-17)13-1-2-14-10-16-4-3-12(14)9-13/h1-2,9,11,15-16H,3-8,10H2.
What are the key properties of 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde has a molecular weight of 260.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde is sourced from PubChem (CID 87691953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).