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Chemical ID: 7107684
Chemical ID:
7107684
Name [?]:
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
SMILES [?]:
CCCCNCc1cccc(c1)OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-2-3-11-20-13-15-7-6-9-17(12-15)21-14-16-8-4-5-10-18(16)19/h4-10,12,20H,2-3,11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,9,8,16,10,19,4,12,6,14,7,15,11,20,21,5,13/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;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: | 10.3906 |
Area: | 525.865 |
Solvation: | -2.75603 |
Coulombic: | -23.7594 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 287.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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