4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde

C15H16N2O2 — CID 46782305

IUPAC4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
SMILES[2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3
InChIKeyFRMKJZNBTRONBV-FIBGUPNXSA-N
MW259.32 g/mol
LogP2.41
Rot. Bonds7

About 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde

4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde (PubChem CID 46782305) has the molecular formula C15H16N2O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
PubChem CID46782305
Molecular FormulaC15H16N2O2
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
SMILES[2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3
InChIKeyFRMKJZNBTRONBV-FIBGUPNXSA-N
XLogP2.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.41
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

5-[[4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57369192
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidin-3-ium-2,4-dione
CID 163606389
4-[2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethoxy]benzaldehyde
CID 11588313
(Z)-N-methanethioyl-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-methylsulfanylprop-2-enamide
CID 143214890
4-[2-[(6-anilinopyrimidin-4-yl)-methylamino]ethoxy]benzaldehyde
CID 11617200
(5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl](114C)methylidene]-1,3-thiazolidine-2,4-dione
CID 15186150
3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanylpropanoic acid
CID 23362224
S-[1-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-3-oxopropan-2-yl] N-methylcarbamothioate
CID 89097684
4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde
CID 143128955
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
CID 10446160

Frequently Asked Questions

What is the IUPAC name of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The IUPAC name of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde (CID 46782305) is 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde is [2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1.
What is the InChIKey of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The InChIKey is FRMKJZNBTRONBV-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3.
What are the key properties of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde has a molecular weight of 259.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde is sourced from PubChem (CID 46782305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).