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Home > Indoles and Oxindole > 1084920-03-5
1084920-03-5 | N-[(1H-indol-2-yl)methyl]aniline
CAS No: 1084920-03-5 Catalog No: AG01AN5A MDL No:MFCD17436690
Product Description
Catalog Number:
AG01AN5A
Chemical Name:
N-[(1H-indol-2-yl)methyl]aniline
CAS Number:
1084920-03-5
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
MDL Number:
MFCD17436690
IUPAC Name:
N-(1H-indol-2-ylmethyl)aniline
InChI:
InChI=1S/C15H14N2/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-10,16-17H,11H2
InChI Key:
SSQTZURIXXHEKY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCc1cc2c([nH]1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening. | Bioorganic & medicinal chemistry letters 20110415 |
| Synthesis, structure-activity relationships and molecular modeling studies of new indole inhibitors of monoamine oxidases A and B. | Bioorganic & medicinal chemistry 20081115 |
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