Chemical ID: 7104598

c1ccc(c(c1)CNC2CCCCC2)F
Chemical ID:
7104598
Name [?]:
N-[(2-fluorophenyl)methyl]cyclohexanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCCC2)F
InChi [?]:
InChI=1/C13H18FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2
InChi Info:
AuxInfo=1/0/N:12,11,13,1,2,6,10,14,3,7,5,9,4,15,8/E:(2,3)(7,8)/rA:15nCCCCCCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FN
All Atoms:33
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.02119
Area:386.035
Solvation:-1.62968
Coulombic:-15.089
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.287
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.52
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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