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Chemical ID: 4236993
Chemical ID:
4236993
Name [?]:
N,N-dimethyl-2-(2,4,6-trimethylphenoxy)-ethanamine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCN(C)C)C
InChi [?]:
InChI=1/C13H21NO/c1-10-8-11(2)13(12(3)9-10)15-7-6-14(4)5/h8-9H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,15,13,14,11,10,7,3,2,6,4,5,12,9/E:(2,3)(4,5)(8,9)(11,12)/rA:15nCCCCCCCCOCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s12;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.46454 |
Area: | 399.253 |
Solvation: | -2.51679 |
Coulombic: | -12.9021 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.68 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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