Chemical ID: 4121968

c1ccc(cc1)CNCc2cccnc2
Chemical ID:
4121968
Name [?]:
1-phenyl-N-(3-pyridylmethyl)methanamine
SMILES [?]:
c1ccc(cc1)CNCc2cccnc2
InChi [?]:
InChI=1/C13H14N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10,15H,9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,7,15,9,4,10,14,8/E:(2,3)(5,6)/rA:15nCCCCCCCNCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.9059
Area:400.174
Solvation:-2.09846
Coulombic:-15.0913
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.264
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.99
LogP (Chemaxon):2.04

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Descriptor Annotations

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