Basic information
- CAS
436086-81-6- Standard SMILES
COc1cccc(CNCc2ccco2)c1OC- InChIKey
QAJRSBYGWGCFMP-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- (2,3-Dimethoxy-benzyl)-furan-2-ylmethyl-amine
- IUPAC
- 1-(2,3-dimethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
Names & synonyms
436086-81-6(2,3-Dimethoxy-benzyl)-furan-2-ylmethyl-amineN-(2,3-Dimethoxybenzyl)-1-(furan-2-yl)methanamine[(2,3-dimethoxyphenyl)methyl][(furan-2-yl)methyl]amine[(2,3-dimethoxyphenyl)methyl](2-furylmethyl)amine1-(2,3-dimethoxyphenyl)-N-(furan-2-ylmethyl)methanamineSBB007175AKOS000137925DB-017913ST50020472SR-01000370480SR-01000370480-1
Database identifiers
- CAS
436086-81-6- PubChem CID
- 769804
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…