5-[3-(2,6-diethylphenyl)phenoxy]pentan-1-amine

Systemtic Name: 5-[3-(2,6-diethylphenyl)phenoxy]pentan-1-amine Openeye Name: 5-[3-(2,6-diethylphenyl)phenoxy]pentan-1-amine CAS Name: 5-[3-(2,6-diethylphenyl)phenoxy]-1-pentanamine IUPAC Name: 5-[3-(2,6-diethylphenyl)phenoxy]pentan-1-amine Traditional Name: 5-[3-(2,6-diethylphenyl)phenoxy]pentylamine Formula: C21H29NO MolecularWeight: 311.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=CC(=CC=C2)OCCCCCN

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=CC(=CC=C2)OCCCCCN

InChI

InChI=1S/C21H29NO/c1-3-17-10-8-11-18(4-2)21(17)19-12-9-13-20(16-19)23-15-7-5-6-14-22/h8-13,16H,3-7,14-15,22H2,1-2H3