Chemical ID: 4123540

c1ccc(c(c1)CNCc2ccccn2)F
Chemical ID:
4123540
Name [?]:
1-(2-fluorophenyl)-N-(2-pyridylmethyl)methanamine
SMILES [?]:
c1ccc(c(c1)CNCc2ccccn2)F
InChi [?]:
InChI=1/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,11,3,14,7,9,5,10,4,16,8,15/rA:16nCCCCCCCNCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13FN2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.38849
Area:404.985
Solvation:-2.73613
Coulombic:-18.8693
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.254
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.24
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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