544654-67-3
4-(5-FLUORO-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
Name4-(5-FLUORO-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
1Identification
【Name】
4-(5-FLUORO-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE
【CAS】
【MDL】
MFCD05194307
【English Synonyms】
【Formula】
C17 H19 F N2 S
【MolWeight】
302.415
【Inchi】
InChI=1S/C17H19FN2S/c1-11-5-8-16(21-11)17-13(4-2-3-9-19)14-10-12(18)6-7-15(14)20-17/h5-8,10,20H,2-4,9,19H2,1H3
【InChIKey】
InChIKey=STDITRWCEFWNPZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(s1)c2c(c3cc(ccc3[nH]2)F)CCCCN
【MOL File】
4-(5-FLUORO-2-(5-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5-FLUORO-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOL-3-YL)BUTAN-1-AMINE.cml