Home Other Building Blocks 4-[5-methyl-2-(propan-2-yl)phenoxymethyl]aniline

4-[5-methyl-2-(propan-2-yl)phenoxymethyl]aniline

CAS No.:
329063-78-7
Catalog Number:
AG019OSE
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
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Product Description
Catalog Number:
AG019OSE
Chemical Name:
4-[5-methyl-2-(propan-2-yl)phenoxymethyl]aniline
CAS Number:
329063-78-7
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
MDL Number:
MFCD02063331
IUPAC Name:
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
InChI:
InChI=1S/C17H21NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h4-10,12H,11,18H2,1-3H3
InChI Key:
MHVJXMZPBOXUQX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)COc1cc(C)ccc1C(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
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