N-[3-(2,3,6-trimethylphenoxy)propyl]butan-1-amine hydrochloride

Systemtic Name: N-[3-(2,3,6-trimethylphenoxy)propyl]butan-1-amine hydrochloride Openeye Name: N-[3-(2,3,6-trimethylphenoxy)propyl]butan-1-amine hydrochloride CAS Name: N-[3-(2,3,6-trimethylphenoxy)propyl]-1-butanamine hydrochloride IUPAC Name: N-[3-(2,3,6-trimethylphenoxy)propyl]butan-1-amine hydrochloride Traditional Name: butyl-[3-(2,3,6-trimethylphenoxy)propyl]amine hydrochloride Formula: C16H28ClNO MolecularWeight: 285.85262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=C(C=CC(=C1C)C)C.Cl

Isomeric SMILES

CCCCNCCCOC1=C(C=CC(=C1C)C)C.Cl

InChI

InChI=1S/C16H27NO.ClH/c1-5-6-10-17-11-7-12-18-16-14(3)9-8-13(2)15(16)4;/h8-9,17H,5-7,10-12H2,1-4H3;1H