(1S,2R)-2-(methylamino)-1-phenyl-propan-1-ol hydrate

Systemtic Name: (1S,2R)-2-(methylamino)-1-phenyl-propan-1-ol hydrate Openeye Name: (1S,2R)-2-(methylamino)-1-phenyl-propan-1-ol hydrate CAS Name: (1S,2R)-2-(methylamino)-1-phenyl-1-propanol hydrate IUPAC Name: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol hydrate Traditional Name: (1S,2R)-2-(methylamino)-1-phenyl-propan-1-ol hydrate Formula: C20H32N2O3 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.O

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)NC.C[C@H]([C@H](C1=CC=CC=C1)O)NC.O

InChI

InChI=1S/2C10H15NO.H2O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;1H2/t2*8-,10-;/m11./s1