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Chemical ID: 7509248
Chemical ID:
7509248
Name [?]:
N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-aniline
SMILES [?]:
COc1ccc(c(c1)CNc2cccc(c2)F)OC
InChi [?]:
InChI=1/C15H16FNO2/c1-18-14-6-7-15(19-2)11(8-14)10-17-13-5-3-4-12(16)9-13/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,13,14,12,4,5,8,16,9,7,15,11,3,6,17,10,2,18/rA:19nCOCCCCCCCNCCCCCCFOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s6;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FNO2 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.60499 |
Area: | 451.542 |
Solvation: | -4.68356 |
Coulombic: | -30.2661 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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