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14429-02-8 | Benzenemethanamine, 4-methoxy-N-(phenylmethyl)-
CAS No: 14429-02-8 Catalog No: AG001J97 MDL No:MFCD01002920
Product Description
Catalog Number:
AG001J97
Chemical Name:
Benzenemethanamine, 4-methoxy-N-(phenylmethyl)-
CAS Number:
14429-02-8
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
MDL Number:
MFCD01002920
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
InChI:
InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChI Key:
WZUBICZIDUTTNJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCc1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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