Methyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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Basic information

Standard SMILES: COC(=O)C1C(c2ccccc2)CC2CCC1N2C
InChIKey: OMBOXYLBBHNWHL-UHFFFAOYSA-N
Molecular formula: C16H21NO2
Average molar mass: 259.34 g/mol
Monoisotopic mass: 259.15722891

Names & identifiers

Preferred name: Methyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
IUPAC: methyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Names & synonyms

74163-84-1Methyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylateTroparil-API(1R,2R,3S,5S)-8-METHYL-3-PHENYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTERCHEMBL178011ACA37280EX-A1712BDBM50052015methyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylateFT178427DB-1987058-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-phenyl-, methylester, (1R,2S,3S,5S)-

Show more names

tri carbonyl methyl (3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate chromiumIII

Database identifiers

PubChem CID: 52940
Nikkaji: J609.320E

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 338

Related reactions

3 records

New reaction record

HRID 1221935As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2314739As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2320460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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