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17377-95-6 | Benzenemethanamine, N-(4-methoxyphenyl)-
CAS No: 17377-95-6 Catalog No: AG001Z6I MDL No:MFCD00059298
Product Description
Catalog Number:
AG001Z6I
Chemical Name:
Benzenemethanamine, N-(4-methoxyphenyl)-
CAS Number:
17377-95-6
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
MDL Number:
MFCD00059298
IUPAC Name:
N-benzyl-4-methoxyaniline
InChI:
InChI=1S/C14H15NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChI Key:
LIJJGMDKVVOEFT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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