Basic information
- Standard SMILES
Cn1cnc2c(NCCc3ccccc3)nc(Cl)nc21- InChIKey
KLQQIOCMFLQRKU-UHFFFAOYSA-N- Molecular formula
- C14H14ClN5
- Average molar mass
- 287.75 g/mol
- Monoisotopic mass
- 287.0937732
Names & identifiers
- Preferred name
- (2-Chloro-9-methyl-9H-purin-6-yl)-phenethyl-amine
- IUPAC
- 2-chloro-9-methyl-N-(2-phenylethyl)purin-6-amine
Names & synonyms
CHEMBL313226(2-Chloro-9-methyl-9H-purin-6-yl)-phenethyl-amineSCHEMBL183259KLQQIOCMFLQRKU-UHFFFAOYSA-NBDBM502905972-Chloro-9-methyl-N-phenethyl-9H-purin-6-amine(2-chloro-9-methyl-9H-purin-6-yl)phenethyl-amine
Database identifiers
- PubChem CID
- 44324320
- ChEMBL
CHEMBL313226
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
6 records
Compound notes
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