Chemical ID: 6719334

COc1ccc(cc1OC)C2(CCCCC2)C[NH3+]
Chemical ID:
6719334
Name [?]:
[1-(3,4-dimethoxyphenyl)cyclohexyl]methylammonium
SMILES [?]:
COc1ccc(cc1OC)C2(CCCCC2)C[NH3+]
InChi [?]:
InChI=1/C15H23NO2/c1-17-13-7-6-12(10-14(13)18-2)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11,16H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,14,13,15,5,4,12,16,7,17,6,3,8,11,18,2,9/E:(4,5)(8,9)/rA:18nCOCCCCCCOCCCCCCCCN+/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s11s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24NO2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-32.398
Area:430.361
Solvation:-43.157
Coulombic:28.1473
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.357
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):2.5

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Descriptor Annotations

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