100568-03-4 (((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine)

快速询单

结构式：

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineMOL文件

CAS号：

100568-03-4

英文名称：

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

分子式：

C₁₇H₁₈F₃NO

分子量：

309.326135158539

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine(100568-03-4)名称与标识符

名称

英文别名：

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, (gammaR)-;DTXSID10872290;DB08472;Benzenepropanamine,?N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-, (.gamma.R)-;(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine;Lopac0_000485;(R)-N-Methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine;(R)-(+/-)-Fluoxetine;Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine;NS00116257;BENZENEPROPANAMINE, N-METHYL-.GAMMA.-(4-(TRIFLUOROMETHYL)PHENOXY)-, (.GAMMA.R)-;(+)-fluoxetine;100568-03-4;(R)-Fluoxetine;CHEBI:86991;R-FLUOXETINE;Fluoxetine, (R)-;(R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine;(R)-Prozac;Methyl-[(R)-3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine;PDSP1_001304;F279341RUQ;SCHEMBL1200433;Q27097676;RFX;(R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine;Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (gammaR)-;(+/-)-Fluoxetine;UNII-F279341RUQ;CCG-204576;NCGC00162170-01;(R)-(+)-fluoxetine;(R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine;BIDD:GT0614;CHEMBL153036;(R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine;BDBM50136166;PDSP2_001288;A830402;AKOS015914491;

标识符

InChIKey：

RTHCYVBBDHJXIQ-MRXNPFEDSA-N

Inchi：

1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1

SMILES：

FC(C1C=CC(=CC=1)O[C@@H](C1C=CC=CC=1)CCNC)(F)F

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine(100568-03-4)物化性质

实验特性

PSA : 21.26

计算特性

精确分子量 : 309.13414
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 6
同位素质量 : 309.13404868g/mol
重原子数量 : 22
复杂度 : 308
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
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） : 4
拓扑分子极性表面积 : 21.3Å²

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