4-Bromo-2,5-dimethoxyphenethylamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.

Dimethoxybenzenes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Methoxybenzenes

Calculated Property

kind Value Source
logP 1.99 ALOGPS
logS -3.1 ALOGPS
Water Solubility 1.99e-01 g/l ALOGPS
logP 1.84 ChemAxon
IUPAC Name 2-(4-bromo-2,5-dimethoxyphenyl)ethan-1-amine ChemAxon
Traditional IUPAC Name bdmpea ChemAxon
Molecular Weight 260.128 ChemAxon
Monoisotopic Weight 259.020791344 ChemAxon
SMILES COC1=CC(Br)=C(OC)C=C1CCN ChemAxon
Molecular Formula C10H14BrNO2 ChemAxon
InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3 ChemAxon
InChIKey InChIKey=YMHOBZXQZVXHBM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 44.48 ChemAxon
Refractivity 59.84 ChemAxon
Polarizability 23.54 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.68 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