Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01484"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:drugCategory | |
| ns1:description |
"
32156-26-6
experimental
illicit
This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Amphetamines and Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenethylamines
Anisoles
Alkyl Aryl Ethers
Bromobenzenes
Aryl Bromides
Polyamines
Organobromides
Monoalkylamines
phenol ether
anisole
bromobenzene
alkyl aryl ether
aryl halide
aryl bromide
polyamine
ether
organobromide
organohalogen
amine
primary amine
primary aliphatic amine
organonitrogen compound
Serotonin Receptor Agonists
logP
2.53
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
9.48e-02 g/l
ALOGPS
logP
2.26
ChemAxon
IUPAC Name
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
ChemAxon
Traditional IUPAC Name
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
ChemAxon
Molecular Weight
274.154
ChemAxon
Monoisotopic Weight
273.036441408
ChemAxon
SMILES
COC1=CC(Br)=C(OC)C=C1CC(C)N
ChemAxon
Molecular Formula
C11H16BrNO2
ChemAxon
InChI
InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
ChemAxon
InChIKey
InChIKey=FXMWUTGUCAKGQL-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
44.48
ChemAxon
Refractivity
64.25
ChemAxon
Polarizability
25.28
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
9.9
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
logP
2.58
HANSCH,C & LEO,AJ (1985)
PubChem Compound
62065
PubChem Substance
46507989
ChemSpider
55902
BindingDB
50005257
IUPHAR
163
Guide to Pharmacology
163
"
|
| rdfs:label |
"4-Bromo-2,5-dimethoxyamphetamine"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object