2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal

HCID 228989

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Basic information

CAS: 67467-96-3
Standard SMILES: CCC(C)(C)c1ccc(CC(C)C=O)cc1
InChIKey: YEDZFQXXPSYBGE-UHFFFAOYSA-N
Molecular formula: C15H22O
Average molar mass: 218.33 g/mol
Monoisotopic mass: 218.16706532

Names & identifiers

Preferred name: 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
IUPAC: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
English name: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
Molecular formula: C15H22O
Molecular weight: 218.33

Names & synonyms

67467-96-32-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal4-(1,1-Dimethylpropyl)-a-methyl-benzenepropanal2-methyl-3-(4-(tert-pentyl)phenyl)propanal3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropionaldehyde; NSC 22277NSC22277Amorolfine Impurity N1Amorolfine Impurity 29SCHEMBL4447719DTXSID40281634YEDZFQXXPSYBGE-UHFFFAOYSA-NNSC-22277

Show more names

Amorolfine Impurity 133-(4-tert-pentylphenyl)-2-methylpropanal4-(1,1-Dimethylpropyl)-α-methylbenzenepropanal4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanalBenzenepropanal, 4-(1,1-dimethylpropyl)-α-methyl-4-(1,1-Dimethylpropyl)-alpha-methyl-benzenepropanal3-[4-(1,1-dimethyl-propyl)-phenyl]-2-methyl-propionaldehyde

DA-251023-(p-tert.amyl-phenyl)-2-methyl-propionaldehyde3-(p-tert.-amyl-phenyl)-2-methyl-propionaldehyde

Database identifiers

CAS: 67467-96-3
PubChem CID: 228989
DTXSID: DTXSID40281634

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 211

Physicochemical properties

storage temp.: Refrigerator, under inert atmosphere
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Oil
color: Colourless to Pale Yellow
Stability: Air Sensitive

Chemistry & industry

Applications · 1 item

Uses4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanal is an intermediate in the synthesis of trans-Amorolfine (A634165). trans-Amorolfine is an analog / impurity of Amorolfine (A634170, HCl); a morpholine antifungal drug and topical solution for the treatment of toenail infections.