2,5-Dimetoksi-4-hloroamfetamin

2,5-Dimetoksi-4-hloroamfetamin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	123431-31-2^Y
ATC kod	None
PubChem	CID 542036
ChemSpider	472008^Y
ChEMBL	CHEMBL8100^Y
Sinonimi	2,5-dimethoxy-4-chloroamphetamine
Hemijski podaci
Formula	C₁₁H₁₆ClNO₂
Molarna masa	229,703
SMILES COc1cc(CC(C)N)c(OC)cc1Cl
InChI InChI=1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3^Y Key:ACRITBNCBMTINK-UHFFFAOYSA-N^Y

2,5-Dimetoksi-4-hloroamfetamin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 229,703 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,3
Rastvorljivost^[2] (logS, log(mol/L))	-3,3
Polarna površina^[3] (PSA, Å²)	44,5

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.