Chemical ID: 5657217

Cc1ccc(cc1)C[NH2+]Cc2ccco2
Chemical ID:
5657217
Name [?]:
2-furylmethyl-(p-tolylmethyl)ammonium
SMILES [?]:
Cc1ccc(cc1)C[NH2+]Cc2ccco2
InChi [?]:
InChI=1/C13H15NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h2-8,14H,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,8,10,2,5,11,9,15/E:(4,5)(6,7)/rA:15nCCCCCCCCN+CCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16NO+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-24.21
Area:405.241
Solvation:-34.341
Coulombic:27.6919
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.272
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.38
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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