2,5-dimethoxyamphetamine hydrochlorideProduct ingredient for 2,5-Dimethoxyamphetamine

Name
2,5-dimethoxyamphetamine hydrochloride
Drug Entry
2,5-Dimethoxyamphetamine
Accession Number
DBSALT002323
Structure
Synonyms
Not Available
UNII
9SLP5AXR1F
CAS Number
24973-25-9
Weight
Average: 231.72
Monoisotopic: 231.1026065
Chemical Formula
C11H18ClNO2
InChI Key
OLBMBFHNGDUGST-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H
IUPAC Name
1-(2,5-dimethoxyphenyl)propan-2-amine hydrochloride
SMILES
Cl.COC1=CC=C(OC)C(CC(C)N)=C1
ChemSpider
56525
ChEMBL
CHEMBL557773
Predicted Properties
PropertyValueSource
Water Solubility1.25 mg/mLALOGPS
logP1.52ALOGPS
logP1.49Chemaxon
logS-2.2ALOGPS
pKa (Strongest Basic)9.91Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area44.48 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity56.63 m3·mol-1Chemaxon
Polarizability21.95 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon