Cas no 52059-52-6 (Benzeneethanamine, 4-fluoro-N-methyl-N-(2-phenylethyl)-)
52059-52-6 structure
Product Name:Benzeneethanamine, 4-fluoro-N-methyl-N-(2-phenylethyl)-
CAS No:52059-52-6
MF:C17H20FN
MW:257.345808029175
CID:2189528
Update Time:2023-08-06
Benzeneethanamine, 4-fluoro-N-methyl-N-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 4-Fluoro-n-methyl -n-(2-phenylethyl )benzeneethanamine
- Benzeneethanamine, 4-fluoro-N-methyl-N-(2-phenylethyl)-
- NEQDOOHNDKCXFM-UHFFFAOYSA-N
- 4-Fluoro-N-methyl-N-(2-phenylethyl)benzeneethanamine
- 2-(4-Fluorophenyl)-N-methyl-N-(2-phenylethyl)ethanamine #
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- Inchi： 1S/C17H20FN/c1-19(13-11-15-5-3-2-4-6-15)14-12-16-7-9-17(18)10-8-16/h2-10H,11-14H2,1H3
- InChI Key： NEQDOOHNDKCXFM-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CCN(C)CCC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 229
- Topological Polar Surface Area: 3.2
Benzeneethanamine, 4-fluoro-N-methyl-N-(2-phenylethyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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