Phenyramidol hydrochlorideProduct ingredient for Fenyramidol

Name
Phenyramidol hydrochloride
Drug Entry
Fenyramidol
Accession Number
DBSALT002997
Structure
Synonyms
Phenyramidol HCl / Phenyramidol hydrochloride
UNII
M574V6XQH7
CAS Number
326-43-2
Weight
Average: 250.73
Monoisotopic: 250.0872908
Chemical Formula
C13H15ClN2O
InChI Key
HYYDHUILGLWOOP-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O.ClH/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13;/h1-9,12,16H,10H2,(H,14,15);1H
IUPAC Name
1-phenyl-2-[(pyridin-2-yl)amino]ethan-1-ol hydrochloride
SMILES
Cl.OC(CNC1=NC=CC=C1)C1=CC=CC=C1
ChemSpider
9097
ChEMBL
CHEMBL1996759
Predicted Properties
PropertyValueSource
Water Solubility0.94 mg/mLALOGPS
logP2.01ALOGPS
logP1.92Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)14.1Chemaxon
pKa (Strongest Basic)6.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area45.15 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity64.98 m3·mol-1Chemaxon
Polarizability23.69 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon