2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethanol - CAS 126407-23-6

Catalog:	BB067258
Product Name:	2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethanol
CAS:	126407-23-6
Synonyms:	2-((3,4-dimethoxyphenethyl)(methyl)amino)ethanol; 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethanol; 2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethanol; 2-((3,4-Dimethoxyphenethyl)(methyl)amino)ethan-1-ol

Technical Data

IUPAC Name:	2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethanol
Description:	2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethanol is used as a reagent in the synthesis of 3-hydroxy-2-(4-methoxphenyl)-5-(2-methylaminoethyl)-2,3-dihydro-5H-1,5-benzothiazepin-4-one derivatives which act as platelet aggregation inhibitors. It is also used in the synthesis of phenylalkanamines as antiarrhythmics.
Molecular Weight:	239.31
Molecular Formula:	C13H21NO3
Canonical SMILES:	CN(CCC1=CC(=C(C=C1)OC)OC)CCO
InChI:	InChI=1S/C13H21NO3/c1-14(8-9-15)7-6-11-4-5-12(16-2)13(10-11)17-3/h4-5,10,15H,6-9H2,1-3H3
InChI Key:	IUKFASJSMGGEHT-UHFFFAOYSA-N
References:	Lochead, A., et al. Preparation of 3-hydroxy-2-(4-methoxphenyl)-5-(2-methylaminoethyl)-2,3-dihydro-5H-1,5-benzothiazepin-4-one derivatives as drugs for inhibiting the platelet aggregation factor, EP Patent 320362, Dec 6, 1988; Chung, Y. et al. Preparation of phenylalkanamines as antiarrhythmics, WO Patent 9604231, Feb 15, 1996.

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.15214353
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.15214353
Rotatable Bond Count:	7
Topological Polar Surface Area:	41.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1