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116480-53-6 | 1H-Indole, 5-bromo-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS No: 116480-53-6 Catalog No: AG000CLA MDL No:
Product Description
Catalog Number:
AG000CLA
Chemical Name:
1H-Indole, 5-bromo-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS Number:
116480-53-6
Molecular Formula:
C14H15BrN2
Molecular Weight:
291.1863
IUPAC Name:
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
InChI:
InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChI Key:
IRJNNZSKGXPISD-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.192g/mol
Monoisotopic Mass:
290.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Conformationally restricted homotryptamines 3. Indole tetrahydropyridines and cyclohexenylamines as selective serotonin reuptake inhibitors. | Bioorganic & medicinal chemistry letters 20070601 |
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