N-methyl-4-(2,3,5-trimethylphenoxy)but-2-yn-1-amine hydrochloride

Systemtic Name: N-methyl-4-(2,3,5-trimethylphenoxy)but-2-yn-1-amine hydrochloride Openeye Name: N-methyl-4-(2,3,5-trimethylphenoxy)but-2-yn-1-amine hydrochloride CAS Name: N-methyl-4-(2,3,5-trimethylphenoxy)-2-butyn-1-amine hydrochloride IUPAC Name: N-methyl-4-(2,3,5-trimethylphenoxy)but-2-yn-1-amine hydrochloride Traditional Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]amine hydrochloride Formula: C14H20ClNO MolecularWeight: 253.7677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC#CCNC)C)C.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC#CCNC)C)C.Cl

InChI

InChI=1S/C14H19NO.ClH/c1-11-9-12(2)13(3)14(10-11)16-8-6-5-7-15-4;/h9-10,15H,7-8H2,1-4H3;1H