Chemical ID: 7234416

Cc1ccc(c(c1)OCC(C[NH2+]C(C)(C)C)O)Cl
Chemical ID:
7234416
Name [?]:
[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-tert-butyl-ammonium
SMILES [?]:
Cc1ccc(c(c1)OCC(C[NH2+]C(C)(C)C)O)Cl
InChi [?]:
InChI=1/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,15,16,3,4,7,11,9,2,10,5,6,13,18,12,17,8/E:(2,3,4)/rA:18cCCCCCCCOCCCN+CCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23ClNO2+
All Atoms:41
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:-23.6228
Area:487.795
Solvation:-35.8177
Coulombic:10.8571
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.24
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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