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148235-02-3

148235-02-3 | Benzenemethanamine, 4-methoxy-N-[(3-methoxyphenyl)methyl]-

CAS No: 148235-02-3 Catalog No: AG001FJO MDL No:MFCD01654009

Product Description

Catalog Number:
AG001FJO
Chemical Name:
Benzenemethanamine, 4-methoxy-N-[(3-methoxyphenyl)methyl]-
CAS Number:
148235-02-3
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
MDL Number:
MFCD01654009
IUPAC Name:
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]methanamine
InChI:
InChI=1S/C16H19NO2/c1-18-15-8-6-13(7-9-15)11-17-12-14-4-3-5-16(10-14)19-2/h3-10,17H,11-12H2,1-2H3
InChI Key:
DREJPPMSQIJNBY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCc1cccc(c1)OC

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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