(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-methyl-butan-2-amine

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-methyl-butan-2-amine Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-methyl-butan-2-amine CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-methyl-2-butanamine IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-methylbutan-2-amine Traditional Name: [(1S)-1-[(4-chloro-3-methyl-phenoxy)methyl]-2-methyl-propyl]amine Formula: C12H18ClNO MolecularWeight: 227.73042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C(C)C)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C(C)C)N)Cl

InChI

InChI=1S/C12H18ClNO/c1-8(2)12(14)7-15-10-4-5-11(13)9(3)6-10/h4-6,8,12H,7,14H2,1-3H3/t12-/m1/s1