Chemical ID: 7120431

COc1ccc(cc1OC)C[NH2+]C2CCCCC2
Chemical ID:
7120431
Name [?]:
cyclohexyl-[(3,4-dimethoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccc(cc1OC)C[NH2+]C2CCCCC2
InChi [?]:
InChI=1/C15H23NO2/c1-17-14-9-8-12(10-15(14)18-2)11-16-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,16,15,17,14,18,5,4,7,11,6,13,3,8,12,2,9/E:(4,5)(6,7)/rA:18nCOCCCCCCOCCN+CCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24NO2+
All Atoms:42
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-26.9735
Area:457.152
Solvation:-38.4023
Coulombic:22.4573
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.357
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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