Chemical ID: 4178810

COc1cc(cc(c1OC)OC)CNc2cccc(c2)F
Chemical ID:
4178810
Name [?]:
3-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SMILES [?]:
COc1cc(cc(c1OC)OC)CNc2cccc(c2)F
InChi [?]:
InChI=1/C16H18FNO3/c1-19-14-7-11(8-15(20-2)16(14)21-3)10-18-13-6-4-5-12(17)9-13/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,17,18,16,4,6,20,13,5,19,15,3,7,8,21,14,2,11,9/E:(1,2)(7,8)(14,15)(19,20)/rA:21nCOCCCCCCOCOCCNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18FNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.73865
Area:490.809
Solvation:-6.53157
Coulombic:-37.6772
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.317
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):2.78

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