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137071-61-5 | Benzenemethanamine, 3,4-dimethoxy-N-(2-methoxy-1-methylethyl)-
CAS No: 137071-61-5 Catalog No: AG0012SU MDL No:MFCD01468944
Product Description
Catalog Number:
AG0012SU
Chemical Name:
Benzenemethanamine, 3,4-dimethoxy-N-(2-methoxy-1-methylethyl)-
CAS Number:
137071-61-5
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD01468944
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
InChI:
InChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-5-6-12(16-3)13(7-11)17-4/h5-7,10,14H,8-9H2,1-4H3
InChI Key:
QNMAKJPRKQTXCB-UHFFFAOYSA-N
SMILES:
COCC(NCc1ccc(c(c1)OC)OC)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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