1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-bromophenyl)-2-furoate

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Basic information

CAS: 63191-90-2
Standard SMILES: CN1C2CCC1CC(OC(=O)c1ccc(-c3ccc(Br)cc3)o1)C2
InChIKey: USVOORWQDXCZPD-UHFFFAOYSA-N
Molecular formula: C19H20BrNO3
Average molar mass: 390.3 g/mol
Monoisotopic mass: 389.06266

Names & identifiers

Preferred name: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-bromophenyl)-2-furoate
IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-bromophenyl)furan-2-carboxylate

Names & synonyms

BRN 14942061-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-bromophenyl)-2-furoate63191-90-25-21-01-00247 (Beilstein Handbook Reference)2-Furoic acid, 5-(p-bromophenyl)-, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl ester5-(p-Bromophenylfuran)-2-carboxylic acid, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl esterRefChem:227427DTXSID409792018-Methyl-8-azabicyclo[3.2.1]octan-3-yl 5-(4-bromophenyl)furan-2-carboxylate

Database identifiers

CAS: 63191-90-2
PubChem CID: 3047294
DTXSID: DTXSID40979201

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 42.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 452

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Compound notes

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