Chemical ID: 5116242

Cc1ccc(c(c1)Br)NCc2ccccn2
Chemical ID:
5116242
Name [?]:
2-bromo-4-methyl-N-(2-pyridylmethyl)aniline
SMILES [?]:
Cc1ccc(c(c1)Br)NCc2ccccn2
InChi [?]:
InChI=1/C13H13BrN2/c1-10-5-6-13(12(14)8-10)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,3,4,15,7,10,2,11,6,5,8,16,9/rA:16nCCCCCCCBrNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13BrN2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.76119
Area:421.715
Solvation:-1.7817
Coulombic:-18.0747
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.16
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.45
LogP (Chemaxon):3.49

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Descriptor Annotations

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