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Chemical ID: 7102211
Chemical ID:
7102211
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-14(2)11-20-12-15-7-4-6-10-18(15)21-13-16-8-3-5-9-17(16)19/h3-10,14,20H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,9,18,10,8,16,19,11,4,6,14,2,7,15,20,12,21,5,13/E:(1,2)/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22FNO |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58302 |
Area: | 498.448 |
Solvation: | -2.87817 |
Coulombic: | -23.578 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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