Chemical ID: 4180694

Cc1ccc(c(c1)NCc2ccncc2)C
Chemical ID:
4180694
Name [?]:
2,5-dimethyl-N-(4-pyridylmethyl)aniline
SMILES [?]:
Cc1ccc(c(c1)NCc2ccncc2)C
InChi [?]:
InChI=1/C14H16N2/c1-11-3-4-12(2)14(9-11)16-10-13-5-7-15-8-6-13/h3-9,16H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,4,11,15,12,14,7,9,2,5,10,6,13,8/E:(5,6)(7,8)/rA:16nCCCCCCCNCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.43458
Area:412.156
Solvation:-1.86931
Coulombic:-17.2683
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.29
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.79
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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