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Chemical ID: 7101710
Chemical ID:
7101710
Name [?]:
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]ethanamine
SMILES [?]:
CCNCc1ccc(c(c1)OC)OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO2/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,17,18,16,19,6,7,10,4,14,5,15,20,8,9,21,3,11,13/rA:21nCCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO2 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01238 |
Area: | 506.142 |
Solvation: | -4.64116 |
Coulombic: | -29.4495 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 289.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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