Metabolite 3-(methylamino)-1-phenylpropan-1-one

Name
3-(methylamino)-1-phenylpropan-1-one
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 163.22
Monoisotopic: 163.099714043
Chemical Formula
C10H13NO
InChI Key
CAIKBWLFBLRPJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
IUPAC Name
3-(methylamino)-1-phenylpropan-1-one
SMILES
[H]N(C([H])([H])[H])C([H])([H])CC(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]
Reactions
External Links
ChemSpider
360886
Predicted Properties
PropertyValueSource
Water Solubility2.08 mg/mLALOGPS
logP0.84ALOGPS
logP1.28ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)16.22ChemAxon
pKa (Strongest Basic)9.47ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.1 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity49.29 m3·mol-1ChemAxon
Polarizability18.45 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon