2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline | SBID = 2109 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 29.3 | ||
| Ertl TPSA/Å2: | 29.26 | ||
| Hydrophilicity (PubChem XLogP): | 4.3 | ||
| Hydrophilicity (Cheng XLogP3): | 4.27 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 226.1 | ||
| Sum Formula: | C14H20Br2N2 | ||
| M / g/mol: | 376.13 | ||
| Complexity: | 256.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug, typical guest
- Name: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
- Preferred Abbreviation: bromhexine
- IUPAC Name: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
- CAS:
- CID: 2442
- InChiKey: OJGDCBLYJGHCIH-UHFFFAOYSA-N
- 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
- CanoSmiles: CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2
- IsoSmiles: CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2
