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Home > Indoles and Oxindole > 878617-41-5
878617-41-5 | 3-Morpholin-4-ylmethyl-2,3-dihydro-1H-indole
CAS No: 878617-41-5 Catalog No: AG01EY4K MDL No:
Product Description
Catalog Number:
AG01EY4K
Chemical Name:
3-Morpholin-4-ylmethyl-2,3-dihydro-1H-indole
CAS Number:
878617-41-5
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
4-(2,3-dihydro-1H-indol-3-ylmethyl)morpholine
InChI:
InChI=1S/C13H18N2O/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2
InChI Key:
RGEGQAFOGMYROT-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CC1CNc2c1cccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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