2,5-Dimethoxyamphetamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 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

Calculated Property

kind Value Source
logP 1.52 ALOGPS
logS -2.2 ALOGPS
Water Solubility 1.25e+00 g/l ALOGPS
logP 1.49 ChemAxon
IUPAC Name 1-(2,5-dimethoxyphenyl)propan-2-amine ChemAxon
Traditional IUPAC Name 2,5-dimethoxyamphetamine ChemAxon
Molecular Weight 195.2582 ChemAxon
Monoisotopic Weight 195.125928793 ChemAxon
SMILES COC1=CC(CC(C)N)=C(OC)C=C1 ChemAxon
Molecular Formula C11H17NO2 ChemAxon
InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3 ChemAxon
InChIKey InChIKey=LATVFYDIBMDBSY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 44.48 ChemAxon
Refractivity 56.63 ChemAxon
Polarizability 22 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.91 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon