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Chemical ID: 4441743
Chemical ID:
4441743
Name [?]:
4-(2-fluorophenoxy)-N,N-dimethyl-butan-1-amine
SMILES [?]:
CN(C)CCCCOc1ccccc1F
InChi [?]:
InChI=1/C12H18FNO/c1-14(2)9-5-6-10-15-12-8-4-3-7-11(12)13/h3-4,7-8H,5-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,5,6,13,10,4,7,14,9,15,2,8/E:(1,2)/rA:15nCNCCCCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18FNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83425 |
Area: | 413.007 |
Solvation: | -3.49092 |
Coulombic: | -17.5569 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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