Chemical ID: 4288885

COc1cccc(c1OC)CNc2ccc(c(c2)F)F
Chemical ID:
4288885
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-3,4-difluoro-aniline
SMILES [?]:
COc1cccc(c1OC)CNc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C15H15F2NO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-11-6-7-12(16)13(17)8-11/h3-8,18H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,6,4,14,15,18,11,7,13,16,17,3,8,20,19,12,2,9/rA:20nCOCCCCCCOCCNCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15F2NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.50313
Area:454.961
Solvation:-5.8709
Coulombic:-34.2102
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.282
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):3.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue