Cas no 89188-99-8 (1H-Indole, 3-ethyl-2-(phenylmethyl)-)
89188-99-8 structure
Product Name:1H-Indole, 3-ethyl-2-(phenylmethyl)-
CAS No:89188-99-8
MF:C17H17N
MW:235.323584318161
CID:609362
PubChem ID:13115106
Update Time:2025-04-19
1H-Indole, 3-ethyl-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 3-ethyl-2-(phenylmethyl)-
- 2-benzyl-3-ethyl-1H-indole
- DTXSID80519105
- 89188-99-8
-
- Inchi： 1S/C17H17N/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
- InChI Key： WTSIDWWGDLJUHR-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C(CC)=C1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 235.136099547g/mol
- Monoisotopic Mass: 235.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 15.8?2
1H-Indole, 3-ethyl-2-(phenylmethyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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