Home Other Building Blocks 1-(7-ethoxy-1-benzofuran-2-yl)ethan-1-amine

1-(7-ethoxy-1-benzofuran-2-yl)ethan-1-amine

CAS No.:
863667-97-4
Catalog Number:
AG019OJE
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG019OJE
Chemical Name:
1-(7-ethoxy-1-benzofuran-2-yl)ethan-1-amine
CAS Number:
863667-97-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD07339037
IUPAC Name:
1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
InChI:
InChI=1S/C12H15NO2/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-8H,3,13H2,1-2H3
InChI Key:
YXKMVRUDXGEDPW-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1oc(c2)C(N)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties