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The molecular formula of the compound is C13H20ClNO.
The molecular weight of the compound is 241.76 g/mol.
The IUPAC name of the compound is (1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
The InChI of the compound is InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m0/s1.
The InChIKey of the compound is NDPTTXIBLSWNSF-JOYOIKCWSA-N.
The canonical SMILES of the compound is CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C.
The synonym for the compound is Threohydrobupropion.
The CAS number of the compound is 92264-82-9.
The XLogP3-AA value of the compound is 2.7.
The compound has a hydrogen bond donor count of 2.
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