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Chemical ID: 7108149
Chemical ID:
7108149
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-18(2,3)20-12-14-8-5-7-11-17(14)21-13-15-9-4-6-10-16(15)19/h4-11,20H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,9,18,10,8,16,19,11,6,14,7,15,20,12,2,21,5,13/E:(1,2,3)/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s2;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: | 9.25129 |
Area: | 484.862 |
Solvation: | -2.87027 |
Coulombic: | -23.0682 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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