Chemical ID: 4506447

CCOc1cc(ccc1OC)CNc2ccc(c(c2)F)F
Chemical ID:
4506447
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,4-difluoro-aniline
SMILES [?]:
CCOc1cc(ccc1OC)CNc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C16H17F2NO2/c1-3-21-16-8-11(4-7-15(16)20-2)10-19-12-5-6-13(17)14(18)9-12/h4-9,19H,3,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,15,16,8,5,19,12,6,14,17,18,9,4,21,20,13,10,3/rA:21nCCOCCCCCCOCCNCCCCCCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17F2NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.944
Area:490.536
Solvation:-6.31941
Coulombic:-33.6956
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.309
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):3.51

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