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18655-51-1 | 3-(2-methoxyphenyl)propan-1-amine
CAS No: 18655-51-1 Catalog No: AG0035XM MDL No:MFCD00870508
Product Description
Catalog Number:
AG0035XM
Chemical Name:
3-(2-methoxyphenyl)propan-1-amine
CAS Number:
18655-51-1
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD00870508
IUPAC Name:
3-(2-methoxyphenyl)propan-1-amine
InChI:
InChI=1S/C10H15NO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6,8,11H2,1H3
InChI Key:
BRVUZJVOHZQUSX-UHFFFAOYSA-N
SMILES:
NCCCc1ccccc1OC
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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