Basic information
- Standard SMILES
CN(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1- InChIKey
AJUSWXYINDCHCJ-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16337692
Names & identifiers
- Preferred name
- (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-[4-(4-dimethylamino-phenyl)-pyridin-2-yl]-amine
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(dimethylamino)phenyl]pyridin-2-amine
Names & synonyms
SCHEMBL3999914AJUSWXYINDCHCJ-UHFFFAOYSA-N(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-[4-(4-dimethylamino-phenyl)-pyridin-2-yl]-amine
Database identifiers
- PubChem CID
- 57807900
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
Loading…