2-methyloctane; 3-(4-propan-2-ylsulfanylphenoxy)propan-1-amine; hydrochloride

Systemtic Name: 2-methyloctane; 3-(4-propan-2-ylsulfanylphenoxy)propan-1-amine; hydrochloride Openeye Name: 3-(4-isopropylsulfanylphenoxy)propan-1-amine; 2-methyloctane; hydrochloride CAS Name: 2-methyloctane; 3-[4-(propan-2-ylthio)phenoxy]-1-propanamine; hydrochloride IUPAC Name: 2-methyloctane; 3-(4-propan-2-ylsulfanylphenoxy)propan-1-amine; hydrochloride Traditional Name: 3-[4-(isopropylthio)phenoxy]propylamine; 2-methyloctane; hydrochloride Formula: C21H40ClNOS MolecularWeight: 390.0664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C.CC(C)SC1=CC=C(C=C1)OCCCN.Cl

Isomeric SMILES

CCCCCCC(C)C.CC(C)SC1=CC=C(C=C1)OCCCN.Cl

InChI

InChI=1S/C12H19NOS.C9H20.ClH/c1-10(2)15-12-6-4-11(5-7-12)14-9-3-8-13;1-4-5-6-7-8-9(2)3;/h4-7,10H,3,8-9,13H2,1-2H3;9H,4-8H2,1-3H3;1H