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

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Basic information

CAS: 72468-82-7
Standard SMILES: CNCCCCOc1ccccc1/C=C/c1ccccc1.Cl
InChIKey: ZYVSXFYXZLDMPP-IERUDJENSA-N
Molecular formula: C19H24ClNO
Average molar mass: 317.9 g/mol
Monoisotopic mass: 317.1546421

Names & identifiers

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

Names & synonyms

1-Butanamine, N-methyl-4-(2-(2-phenylethenyl)phenoxy)-, hydrochloride72468-82-7RefChem:10550862-(Methylaminobutoxy)stilbene hydrochlorideN-Methyl-4-(2-(2-phenylethenyl)phenoxy)-1-butanamine hydrochlorideCHEMBL1203666

Database identifiers

CAS: 72468-82-7
PubChem CID: 6447144
ChEMBL: CHEMBL1203666

Properties

Computed structural properties

Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 283

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Compound notes

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