1-Boc-3-[2-(3-溴苯基)-乙基氨基]-吡咯烷 | 887578-39-4
1-Boc-3-[2-(3-溴苯基)-乙基氨基]-吡咯烷
1-Pyrrolidinecarboxylicacid, 3-[[2-(3-bromophenyl)ethyl]amino]-, 1,1-dimethylethyl ester
887578-39-4
C17H25N2O2Br
369.2966
名称和标识符
MDL |
MFCD07785913 |
InChIKey |
XBLATSAIKIAMQF-UHFFFAOYSA-N |
Inchi |
InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-10-8-15(12-20)19-9-7-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3 |
SMILES |
CC(C)(C)OC(=O)N1CCC(C1)NCCC2=CC(=CC=C2)Br |
别名信息
- 中文别名 -
- 1-Boc-3-[2-(3-溴苯基)-乙基氨基]-吡咯烷
- 英文别名 -
- 1-Pyrrolidinecarboxylicacid, 3-[[2-(3-bromophenyl)ethyl]amino]-, 1,1-dimethylethyl ester
- 1-Boc-3-[2-(3-Bromo-phenyl)-ethylamino]-pyrrolidine
- tert-butyl 3-[2-(3-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
- 1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
- 1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
- 1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
- 887578-39-4
- 887578-39-4
- DTXSID20723042
- 887578-39-4
- DTXSID20723042
- TERT-BUTYL 3-{[2-(3-BROMOPHENYL)ETHYL]AMINO}PYRROLIDINE-1-CARBOXYLATE
- DTXSID20723042
- TERT-BUTYL 3-{[2-(3-BROMOPHENYL)ETHYL]AMINO}PYRROLIDINE-1-CARBOXYLATE
- 1-boc-3-[2-(3-bromophenyl)ethylamino]pyrrolidine
- TERT-BUTYL 3-{[2-(3-BROMOPHENYL)ETHYL]AMINO}PYRROLIDINE-1-CARBOXYLATE
- 1-boc-3-[2-(3-bromophenyl)ethylamino]pyrrolidine
- tert-Butyl 3-((3-bromophenethyl)amino)pyrrolidine-1-carboxylate
- 1-boc-3-[2-(3-bromophenyl)ethylamino]pyrrolidine
- tert-Butyl 3-((3-bromophenethyl)amino)pyrrolidine-1-carboxylate
- tert-Butyl 3-((3-bromophenethyl)amino)pyrrolidine-1-carboxylate
物化性质
计算特性
精确分子量 |
368.10994g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
7 |
同位素质量 |
368.10994g/mol |
重原子数量 |
22 |
复杂度 |
370 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.5 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
41.6Ų |