rac-(3S,4R)-1-benzyl-4-(4-fluoro-2-methyl-phenyl)-pyrrolidin-3-ylamine

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Basic information

CAS: 1935427-49-8
Standard SMILES: Cc1cc(F)ccc1C1CN(Cc2ccccc2)CC1N
InChIKey: GVHPIYJJLFLBSA-UHFFFAOYSA-N
Molecular formula: C18H21FN2
Average molar mass: 284.4 g/mol
Monoisotopic mass: 284.16887684

Names & identifiers

Preferred name: rac-(3S,4R)-1-benzyl-4-(4-fluoro-2-methyl-phenyl)-pyrrolidin-3-ylamine
IUPAC: 1-benzyl-4-(4-fluoro-2-methylphenyl)pyrrolidin-3-amine

Names & synonyms

SCHEMBL1203774GVHPIYJJLFLBSA-UHFFFAOYSA-NDTXSID8011705191-benzyl-4-(4-fluoro-2-methylphenyl)pyrrolidin-3-amine3-Pyrrolidinamine, 4-(4-fluoro-2-methylphenyl)-1-(phenylmethyl)-rac-(3S,4R)-1-benzyl-4-(4-fluoro-2-methyl-phenyl)-pyrrolidin-3-ylamine1935427-49-8

Database identifiers

CAS: 1935427-49-8
PubChem CID: 66940985
DTXSID: DTXSID801170519

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 329

Related reactions

3 records

New reaction record

HRID 1365915As productuspto-grants-2011_02

HRID 1365916As reactantuspto-grants-2011_02

HRID 1568350As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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