3-methoxy-2-(1-phenylethylimino)propanal

C12H15NO2 — CID 135295481

IUPAC3-methoxy-2-(1-phenylethylimino)propanal
SMILESCOC/C(C=O)=N\C(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(11-6-4-3-5-7-11)13-12(8-14)9-15-2/h3-8,10H,9H2,1-2H3/b13-12-
InChIKeyDZNVOZHCSVYTPK-SEYXRHQNSA-N
MW205.26 g/mol
LogP2.03
Rot. Bonds5

About 3-methoxy-2-(1-phenylethylimino)propanal

3-methoxy-2-(1-phenylethylimino)propanal (PubChem CID 135295481) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methoxy-2-(1-phenylethylimino)propanal.

Molecular Properties

Compound Name3-methoxy-2-(1-phenylethylimino)propanal
PubChem CID135295481
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-methoxy-2-(1-phenylethylimino)propanal
SMILESCOC/C(C=O)=N\C(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(11-6-4-3-5-7-11)13-12(8-14)9-15-2/h3-8,10H,9H2,1-2H3/b13-12-
InChIKeyDZNVOZHCSVYTPK-SEYXRHQNSA-N
XLogP2.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
4-(1-phenylethylimino)pentan-2-one
CID 56976163
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
dimethyl 2-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]pent-2-enedioate
CID 123791349
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
CID 155715793
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
3-diethoxyphosphoryl-N-[(1S)-1-phenylethyl]butan-2-imine
CID 102080161
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
CID 15261942
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2,2-dimethoxy-N-(1-phenylethyl)ethanimine
CID 11651382

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-phenylethylimino)propanal?
The IUPAC name of 3-methoxy-2-(1-phenylethylimino)propanal (CID 135295481) is 3-methoxy-2-(1-phenylethylimino)propanal.
What is the SMILES notation for 3-methoxy-2-(1-phenylethylimino)propanal?
The canonical SMILES for 3-methoxy-2-(1-phenylethylimino)propanal is COC/C(C=O)=N\C(C)c1ccccc1.
What is the InChIKey of 3-methoxy-2-(1-phenylethylimino)propanal?
The InChIKey is DZNVOZHCSVYTPK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(11-6-4-3-5-7-11)13-12(8-14)9-15-2/h3-8,10H,9H2,1-2H3/b13-12-.
What are the key properties of 3-methoxy-2-(1-phenylethylimino)propanal?
3-methoxy-2-(1-phenylethylimino)propanal has a molecular weight of 205.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-phenylethylimino)propanal is sourced from PubChem (CID 135295481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).