Aniline, p-(2-(3-(m-methoxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, dihydrochloride

HCID 16038

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Basic information

CAS: 1945-00-2
Standard SMILES: CCCC1(c2cccc(OC)c2)CC[NH+](CCc2ccc([NH3+])cc2)C1.[Cl-].[Cl-]
InChIKey: QBYCXMGSUPQWEW-UHFFFAOYSA-N
Molecular formula: C22H32Cl2N2O
Average molar mass: 411.4 g/mol
Monoisotopic mass: 410.189169

Names & identifiers

Preferred name: Aniline, p-(2-(3-(m-methoxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, dihydrochloride
IUPAC: [4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-ium-1-yl]ethyl]phenyl]azanium dichloride

Names & synonyms

Aniline, p-(2-(3-(m-methoxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, dihydrochloride1-(p-Aminophenethyl)-3-(m-methoxyphenyl)-3-propylpyrrolidine dihydrochloride1945-00-2RefChem:319656Pyrrolidine, 1-(p-aminophenethyl)-3-(m-methoxyphenyl)-3-propyl-dihydrochloridePyrrolidine, 1-(p-aminophenethyl)-3-(m-methoxyphenyl)-3-propyl- dihydrochloride

Database identifiers

CAS: 1945-00-2
PubChem CID: 16038

Properties

Computed structural properties

Topological polar surface area: 41.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 393

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