2-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)furan-2-yl]methyl}ethanamine
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Basic information
- CAS
892589-30-9- Standard SMILES
COc1ccc(CCNCc2ccc(-c3ccc(F)cc3)o2)cc1OC- InChIKey
UIZCLOITUOHKJN-UHFFFAOYSA-N- Molecular formula
- C21H22FNO3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.15837173
Names & identifiers
- Preferred name
- 2-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)furan-2-yl]methyl}ethanamine
- IUPAC
- 2-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]ethanamine
- English name
- 2-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)-2-furyl]methyl}ethanamine
- Molecular formula
- C21H22FNO3
- Molecular weight
- 355.4
Names & synonyms
2-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)furan-2-yl]methyl}ethanamine2-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]ethanamineSTK252187AKOS001479820AN-465/433842272-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)-2-furyl]methyl}ethanamine[2-(3,4-DIMETHOXYPHENYL)ETHYL]({[5-(4-FLUOROPHENYL)FURAN-2-YL]METHYL})AMINE2-(3,4-dimethoxyphenyl)-N-{[5-(4-fluorophenyl)furan-2-yl]methyl}ethan-1-amine--hydrogen chloride (1/1)2-Furanmethanamine, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-
Database identifiers
- CAS
892589-30-9- PubChem CID
- 4723506
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
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