Fenethylline hydrochlorideProduct ingredient for Fenethylline

Name
Fenethylline hydrochloride
Drug Entry
Fenethylline
Accession Number
DBSALT002869
Structure
Synonyms
Amfetyline hydrochloride / Fenethylline HCl / Fenethylline hydrochloride
UNII
YA7K8ADZ2V
CAS Number
1892-80-4
Weight
Average: 377.868
Monoisotopic: 377.161852744
Chemical Formula
C18H24ClN5O2
InChI Key
MVXGSLGVWBVZCA-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H
IUPAC Name
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
SMILES
Cl.CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
ChemSpider
92775
ChEMBL
CHEMBL2107591
Predicted Properties
PropertyValueSource
logP1.52Chemaxon
pKa (Strongest Basic)10.03Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area70.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity96.34 m3·mol-1Chemaxon
Polarizability36.03 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon