Chemical ID: 7105191

c1ccc(c(c1)CNCc2ccncc2)F
Chemical ID:
7105191
Name [?]:
1-(2-fluorophenyl)-N-(4-pyridylmethyl)methanamine
SMILES [?]:
c1ccc(c(c1)CNCc2ccncc2)F
InChi [?]:
InChI=1/C13H13FN2/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11/h1-8,16H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,12,14,9,7,10,5,4,16,13,8/E:(5,6)(7,8)/rA:16nCCCCCCCNCCCCNCCF/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:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.37165
Area:404.806
Solvation:-2.74851
Coulombic:-18.467
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:2.15
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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