1-Butanamine, N,N-dimethyl-4-(2-(2-phenylethenyl)phenoxy)-, hydrochloride

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Basic information

CAS: 72468-80-5
Standard SMILES: CN(C)CCCCOc1ccccc1/C=C/c1ccccc1.Cl
InChIKey: JXRRBWWAQLRJGM-WPDLWGESSA-N
Molecular formula: C20H26ClNO
Average molar mass: 331.9 g/mol
Monoisotopic mass: 331.1702921

Names & identifiers

Preferred name: 1-Butanamine, N,N-dimethyl-4-(2-(2-phenylethenyl)phenoxy)-, hydrochloride
IUPAC: N,N-dimethyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine;hydrochloride

Names & synonyms

1-Butanamine, N,N-dimethyl-4-(2-(2-phenylethenyl)phenoxy)-, hydrochloride72468-80-5RefChem:10550842-(4-Dimethylaminobutoxy)stilbene hydrochlorideN,N-Dimethyl-4-(2-(2-phenylethenyl)phenoxy)-1-butanamine hydrochlorideCHEMBL1203675SCHEMBL11161819

Database identifiers

CAS: 72468-80-5
PubChem CID: 6447142
ChEMBL: CHEMBL1203675

Properties

Computed structural properties

Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 307

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Compound notes

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