Bifemelane hydrochlorideProduct ingredient for Bifemelane
- Name
- Bifemelane hydrochloride
- Drug Entry
- Bifemelane
- Accession Number
- DBSALT002786
- Structure
Structure for Bifemelane hydrochloride (DBSALT002786)
- Synonyms
- Bifemelane HCl
- UNII
- 2N52S01UFY
- CAS Number
- 62232-46-6
- Weight
- Average: 305.85
Monoisotopic: 305.1546421 - Chemical Formula
- C18H24ClNO
- InChI Key
- MEAHDXWXNNDSAK-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H23NO.ClH/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16;/h2-6,9-12,19H,7-8,13-15H2,1H3;1H
- IUPAC Name
- [4-(2-benzylphenoxy)butyl](methyl)amine hydrochloride
- SMILES
- Cl.CNCCCCOC1=CC=CC=C1CC1=CC=CC=C1
- External Links
- KEGG Drug
- D01793
- ChemSpider
- 40020
- ChEBI
- 31285
- ChEMBL
- CHEMBL543763
- Predicted Properties
Property Value Source Water Solubility 0.00162 mg/mL ALOGPS logP 3.67 ALOGPS logP 4.12 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 10.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 84.49 m3·mol-1 Chemaxon Polarizability 32.32 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon