Molecule ID: 2442

IUPAC Name: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline

Description: The molecule is a substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). It has a role as a mucolytic. It is a substituted aniline, a tertiary amino compound and an organobromine compound. It is a conjugate base of a bromhexine(1+).

SMILES: CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1

SELFIES: [C][N][Branch1][P][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3

Molecular Properties:
- Polar Surface Area: 29.3 Ų
- LogP: 4.3