AC1Q3BEK
2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride
Also Known As: cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride|Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, cis-|2-{[(4r,5s)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy}-n,n-dimethylethanamine hydrochloride(1:1)|2-[(8-Chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)|2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine hydrochloride|2-{[(4R,5S)-8-Chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy}-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C20H25Cl2NO2 |
|---|---|
| Molecular Weight | 381.12622 g/mol |
| LogP | 4.9474 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.12622 |
| Monoisotopic Mass | 381.12622 |
| Heavy Atoms | 25 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 5336-16-3 |
|---|---|
| SMILES | CN(C)CCO[C@H]1[C@H](CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl |
| InChIKey | KFCSNDPJFSVSET-XLCHORMMSA-N |
Product Overview
AC1Q3BEK (CAS 5336-16-3), with molecular formula C20H25Cl2NO2 and molecular weight 381.12622 g/mol. IUPAC: 2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride.
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