Propylamine, N,N-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)-, fumarate

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Basic information

CAS: 2250-12-6
Standard SMILES: CC(CN(C)C)OC(c1ccccc1)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C/C(=O)O
InChIKey: TUBZEXFUJAKSIP-WLHGVMLRSA-N
Molecular formula: C23H26F3NO5
Average molar mass: 453.5 g/mol
Monoisotopic mass: 453.17630742

Names & identifiers

Preferred name: Propylamine, N,N-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)-, fumarate
IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine

Names & synonyms

Propylamine, N,N-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)-, fumarate2250-12-6RefChem:1097047N,N-Dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)propylamine fumarate

Database identifiers

CAS: 2250-12-6
PubChem CID: 6444503

Properties

Computed structural properties

Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 477

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Compound notes

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