methane; N-methyl-3-(2-prop-2-enylphenoxy)propan-1-amine; (phenylmethyl)benzene; propan-1-amine; hydrate; dihydrochloride

Systemtic Name: methane; N-methyl-3-(2-prop-2-enylphenoxy)propan-1-amine; (phenylmethyl)benzene; propan-1-amine; hydrate; dihydrochloride Openeye Name: 3-(2-allylphenoxy)-N-methyl-propan-1-amine; benzylbenzene; methane; propan-1-amine; hydrate; dihydrochloride CAS Name: methane; N-methyl-3-(2-prop-2-enylphenoxy)-1-propanamine; (phenylmethyl)benzene; 1-propanamine; hydrate; dihydrochloride IUPAC Name: benzylbenzene; methane; N-methyl-3-(2-prop-2-enylphenoxy)propan-1-amine; propan-1-amine; hydrate; dihydrochloride Traditional Name: 3-(2-allylphenoxy)propyl-methyl-amine; benzylbenzene; methane; propylamine; hydrate; dihydrochloride Formula: C30H48Cl2N2O2 MolecularWeight: 539.62032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCCN.CNCCCOC1=CC=CC=C1CC=C.C1=CC=C(C=C1)CC2=CC=CC=C2.O.Cl.Cl

Isomeric SMILES

C.CCCN.CNCCCOC1=CC=CC=C1CC=C.C1=CC=C(C=C1)CC2=CC=CC=C2.O.Cl.Cl

InChI

InChI=1S/C13H19NO.C13H12.C3H9N.CH4.2ClH.H2O/c1-3-7-12-8-4-5-9-13(12)15-11-6-10-14-2;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-3-4;;;;/h3-5,8-9,14H,1,6-7,10-11H2,2H3;1-10H,11H2;2-4H2,1H3;1H4;2*1H;1H2