2-(3,4-Dimethoxyphenyl)-N-(2-phenylethyl)ethan-1-amine--hydrogen bromide (1/1)

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Basic information

CAS: 63925-46-2
Standard SMILES: Br.COc1ccc(CCNCCc2ccccc2)cc1OC
InChIKey: BKUJUTALFVTWEU-UHFFFAOYSA-N
Molecular formula: C18H24BrNO2
Average molar mass: 366.3 g/mol
Monoisotopic mass: 365.09904111

Names & identifiers

Preferred name: 2-(3,4-Dimethoxyphenyl)-N-(2-phenylethyl)ethan-1-amine--hydrogen bromide (1/1)
IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine;hydrobromide

Names & synonyms

63925-46-2DTXSID709811552-(3,4-Dimethoxyphenyl)-N-(2-phenylethyl)ethan-1-amine--hydrogen bromide (1/1)RefChem:1061017DTXCID201408427Veratrole, 4-(2-(phenethylamino)ethyl)-, hydrobromidePhenethylamine, 3,4-dimethoxy-N-phenethyl-, hydrobromideSCHEMBL11515734BKUJUTALFVTWEU-UHFFFAOYSA-NN-phenethyl-3,4-dimethoxyphenethylamine hydrobromide

Database identifiers

CAS: 63925-46-2
PubChem CID: 3048686
DTXSID: DTXSID70981155

Properties

Computed structural properties

Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 266

Related reactions

2 records

New reaction record

HRID 46773As productuspto-grants-1979_11

HRID 46774As reactantuspto-grants-1979_11

Compound notes

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