Chemical ID: 4178813

COc1ccc(c(c1)OC)CNc2ccc(c(c2)Cl)F
Chemical ID:
4178813
Name [?]:
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-aniline
SMILES [?]:
COc1ccc(c(c1)OC)CNc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C15H15ClFNO2/c1-19-12-5-3-10(15(8-12)20-2)9-18-11-4-6-14(17)13(16)7-11/h3-8,18H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,14,4,15,18,8,11,6,13,3,17,16,7,19,20,12,2,9/rA:20nCOCCCCCCOCCNCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClFNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.69941
Area:486.99
Solvation:-4.47533
Coulombic:-30.664
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.736
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):3.55

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