{2-[4-(2-Methoxyethoxy)phenyl]ethyl}amine Hydrochloride - CAS 1201633-53-5

Catalog:	BB059732
Product Name:	{2-[4-(2-Methoxyethoxy)phenyl]ethyl}amine Hydrochloride
CAS:	1201633-53-5
Synonyms:	4-(2-Methoxyethoxy)benzeneethanamine Hydrochloride; 2-[4-(2-Methoxy-ethoxy)-phenyl]-ethylamine Hydrochloride; 2-[4-(2-Methoxyethoxy)phenyl]ethan-1-amine Hydrochloride

Technical Data

IUPAC Name:	2-[4-(2-methoxyethoxy)phenyl]ethanaminehydrochloride
Description:	{2-[4-(2-Methoxyethoxy)phenyl]ethyl}amine Hydrochloride is a salt analog of 4-(2-Methoxyethoxy)benzeneethanamine (CAS# 1016760-18-1), which can be useful in the identification and optimization of anti-tubercular quinazolinones.
Molecular Weight:	231.72
Molecular Formula:	C11H17NO2·HCl
Canonical SMILES:	COCCOC1=CC=C(C=C1)CCN.Cl
InChI:	InChI=1S/C11H17NO2.ClH/c1-13-8-9-14-11-4-2-10(3-5-11)6-7-12/h2-5H,6-9,12H2,1H31H
InChI Key:	JOCJGQXYTDYOSW-UHFFFAOYSA-N
References:	Couturier, C., et al. Bioorg. Med. Chem. Lett., 26, 5290 (2016).

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.1026065
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	231.1026065
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0