Basic information
- Standard SMILES
CC1(C)Cc2cccc(CNc3cccnc3Cl)c2O1- InChIKey
RSBSWHAYQIDRTI-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O
- Average molar mass
- 288.77 g/mol
- Monoisotopic mass
- 288.1029409
Names & identifiers
- Preferred name
- 3-[(2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl)methyl]amino-2-chloropyridine
- IUPAC
- 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyridin-3-amine
Names & synonyms
SCHEMBL7835641RSBSWHAYQIDRTI-UHFFFAOYSA-NAKOS0138318303-[(2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)methyl]amino-2-chloropyridine
Database identifiers
- PubChem CID
- 64507477
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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