Cas no 91459-41-5 (5-(2-Phenylethyl)-1H-indole)
5-(2-Phenylethyl)-1H-indole structure
Product Name:5-(2-Phenylethyl)-1H-indole
CAS No:91459-41-5
MF:C16H15N
MW:221.297003984451
CID:2813951
PubChem ID:13245155
Update Time:2025-04-21
5-(2-Phenylethyl)-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 5-(2-Phenylethyl)-1H-indole
- KATLDDATAPXCBT-UHFFFAOYSA-N
- 91459-41-5
- 5-phenethylindole
- DTXSID20531583
- SCHEMBL6099420
-
- Inchi： 1S/C16H15N/c1-2-4-13(5-3-1)6-7-14-8-9-16-15(12-14)10-11-17-16/h1-5,8-12,17H,6-7H2
- InChI Key： KATLDDATAPXCBT-UHFFFAOYSA-N
- SMILES： N1C=CC2=C1C=CC(=C2)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 221.120449483g/mol
- Monoisotopic Mass: 221.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 232
- 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: 4.5
- Topological Polar Surface Area: 15.8?2
5-(2-Phenylethyl)-1H-indole Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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