Chemical ID: 4179050

COc1cc(c(cc1CNc2cccc(c2)F)Br)OC
Chemical ID:
4179050
Name [?]:
N-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-3-fluoro-aniline
SMILES [?]:
COc1cc(c(cc1CNc2cccc(c2)F)Br)OC
InChi [?]:
InChI=1/C15H15BrFNO2/c1-19-14-8-15(20-2)13(16)6-10(14)9-18-12-5-3-4-11(17)7-12/h3-8,18H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,14,12,7,16,4,9,8,15,11,6,3,5,18,17,10,2,19/rA:20nCOCCCCCCCNCCCCCCFBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s6;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15BrFNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.17315
Area:477.598
Solvation:-4.76681
Coulombic:-30.1147
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.188
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):3.82

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