939791-06-7
1-[2-(3-CHLORO-2-FLUORO-PHENYL)-ETHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Name1-[2-(3-CHLORO-2-FLUORO-PHENYL)-ETHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
1Identification
【Name】
1-[2-(3-CHLORO-2-FLUORO-PHENYL)-ETHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
【CAS】
【MDL】
MFCD18073774
【English Synonyms】
【Formula】
C19 H21 Cl F N O2
【MolWeight】
349.831
【Inchi】
InChI=1S/C19H21ClFNO2/c1-23-17-10-13-8-9-22-16(14(13)11-18(17)24-2)7-6-12-4-3-5-15(20)19(12)21/h3-5,10-11,16,22H,6-9H2,1-2H3
【InChIKey】
InChIKey=JMJCLDZGVDJSET-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(NCC2)CCc3cccc(c3F)Cl
【MOL File】
1-[2-(3-CHLORO-2-FLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[2-(3-CHLORO-2-FLUORO-PHENYL)-ETHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE.cml