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Chemical ID: 7105888
Chemical ID:
7105888
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO2/c1-20-11-10-19-12-14-6-3-5-9-17(14)21-13-15-7-2-4-8-16(15)18/h2-9,19H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,9,18,10,8,16,19,11,4,3,6,14,7,15,20,12,21,5,2,13/rA:21nCOCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;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: | 8.16659 |
Area: | 507.876 |
Solvation: | -4.5303 |
Coulombic: | -30.216 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 289.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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