2-(4-methoxy-3,5-dimethylanilino)acetaldehyde

C11H15NO2 — CID 115222701

IUPAC2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
SMILESCOc1c(C)cc(NCC=O)cc1C
InChIInChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)7-9(2)11(8)14-3/h5-7,12H,4H2,1-3H3
InChIKeySUCTWYKQNBSMCX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde

2-(4-methoxy-3,5-dimethylanilino)acetaldehyde (PubChem CID 115222701) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
PubChem CID115222701
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
SMILESCOc1c(C)cc(NCC=O)cc1C
InChIInChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)7-9(2)11(8)14-3/h5-7,12H,4H2,1-3H3
InChIKeySUCTWYKQNBSMCX-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxy-3,5-dimethylphenyl)methanediamine
CID 115225476
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
CID 115222617
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
2-amino-4-(4-methoxy-3,5-dimethylanilino)butanoic acid
CID 115241061
2-[(4-methoxy-3,5-dimethylanilino)methyl]-3-methylbutanenitrile
CID 115254301
4-methoxy-3,5-dimethylphenol
CID 643378

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde?
The IUPAC name of 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde (CID 115222701) is 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde is COc1c(C)cc(NCC=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde?
The InChIKey is SUCTWYKQNBSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-10(12-4-5-13)7-9(2)11(8)14-3/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde?
2-(4-methoxy-3,5-dimethylanilino)acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylanilino)acetaldehyde is sourced from PubChem (CID 115222701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).