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Chemical ID: 7439568
Chemical ID:
7439568
Name [?]:
2-(2,4,6-trimethylphenoxy)ethanamine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCN)C
InChi [?]:
InChI=1/C11H17NO/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,13,11,10,7,3,2,6,4,5,12,9/E:(2,3)(6,7)(9,10)/rA:13nCCCCCCCCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO |
All Atoms: | 30 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74152 |
Area: | 360.172 |
Solvation: | -2.26277 |
Coulombic: | -20.1424 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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