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197728-27-1 | Benzenemethanamine, 4-methoxy-N-[(4-methylphenyl)methyl]-
CAS No: 197728-27-1 Catalog No: AG002AZM MDL No:MFCD02374910
Product Description
Catalog Number:
AG002AZM
Chemical Name:
Benzenemethanamine, 4-methoxy-N-[(4-methylphenyl)methyl]-
CAS Number:
197728-27-1
Molecular Formula:
C16H19NO
Molecular Weight:
241.3282
MDL Number:
MFCD02374910
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
InChI:
InChI=1S/C16H19NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-10,17H,11-12H2,1-2H3
InChI Key:
UDAMQTRGVKVYKM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCc1ccc(cc1)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.334g/mol
Monoisotopic Mass:
241.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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