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Chemical ID: 5186595
Chemical ID:
5186595
Name [?]:
N-(cyclohexylmethyl)-1-(4-fluorophenyl)-methanamine
SMILES [?]:
c1cc(ccc1CNCC2CCCCC2)F
InChi [?]:
InChI=1/C14H20FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h6-9,12,16H,1-5,10-11H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,5,2,4,9,7,10,6,3,16,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20FN |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59475 |
Area: | 415.43 |
Solvation: | -1.791 |
Coulombic: | -14.9854 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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