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Chemical ID: 7108625
Chemical ID:
7108625
Name [?]:
N-[(4-fluorophenyl)methyl]cyclooctanamine
SMILES [?]:
c1cc(ccc1CNC2CCCCCCC2)F
InChi [?]:
InChI=1/C15H22FN/c16-14-10-8-13(9-11-14)12-17-15-6-4-2-1-3-5-7-15/h8-11,15,17H,1-7,12H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,10,16,1,5,2,4,7,6,3,9,17,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:17nCCCCCCCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s9s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22FN |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72442 |
Area: | 420.659 |
Solvation: | -1.79206 |
Coulombic: | -15.234 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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