Home Other Building Blocks [(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine

[(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine

CAS No.:
852399-85-0
Catalog Number:
AG019O56
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
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Product Description
Catalog Number:
AG019O56
Chemical Name:
[(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine
CAS Number:
852399-85-0
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD06655515
IUPAC Name:
N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
InChI:
InChI=1S/C12H19NO2/c1-4-13-9-10-6-7-11(15-5-2)12(8-10)14-3/h6-8,13H,4-5,9H2,1-3H3
InChI Key:
VGDPIDJPHACQEZ-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(c(c1)OC)OCC
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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