2,5-Dimethoxy-4-ethylamphetamine

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 2.71 ALOGPS
logS -2.7 ALOGPS
Water Solubility 4.13e-01 g/l ALOGPS
logP 2.45 ChemAxon
IUPAC Name 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine ChemAxon
Traditional IUPAC Name 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine ChemAxon
Molecular Weight 223.3113 ChemAxon
Monoisotopic Weight 223.157228921 ChemAxon
SMILES CCC1=CC(OC)=C(CC(C)N)C=C1OC ChemAxon
Molecular Formula C13H21NO2 ChemAxon
InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3 ChemAxon
InChIKey InChIKey=HXJKWPGVENNMCC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 44.48 ChemAxon
Refractivity 66.27 ChemAxon
Polarizability 26.07 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.93 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