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N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine

N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine structure

CAS No:
613-67-2
Formula:
C19H23NO5
Chemical Name:
N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine
Synonyms:
1,4-Benzodioxin-2-methanamine,N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-;1,4-Benzodioxan-2-methylamine,N-[2-(2,6-dimethoxyphenoxy)ethyl]-;N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine;WB 4101;(±)-WB 4101;WB 4101 (antagonist);(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[2-(2,6-dimethoxy-phenoxy)-ethyl]-amine;71117-21-0

Description

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine is a benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. It has a role as an alpha-adrenergic antagonist. It is a benzodioxine, a secondary amino compound and an aromatic ether. It is a conjugate base of a N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium(1+).

N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine Basic Attributes

Molecular Weight：

345.39000

Exact Mass：

345.39

DSSTox ID：

DTXSID1043885

Characteristics

PSA：

58.18000

XLogP3：

2.90310

Density：

1.16g/cm3

Melting Point：

234-238 °C

Boiling Point：

472.7ºC

Flash Point：

200ºC

Drug Information

MeSH：

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)

MeSH Entry Terms：

(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane

Computed Properties

Molecular Weight:345.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:345.15762283
Monoisotopic Mass:345.15762283
Topological Polar Surface Area:58.2
Heavy Atom Count:25
Complexity:371
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxin-2-methanamine

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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