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Chemical ID: 4956492
Chemical ID:
4956492
Name [?]:
2-(2,6-dimethylphenoxy)-N,N-dimethyl-ethanamine
SMILES [?]:
Cc1cccc(c1OCCN(C)C)C
InChi [?]:
InChI=1/C12H19NO/c1-10-6-5-7-11(2)12(10)14-9-8-13(3)4/h5-7H,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,12,13,4,3,5,10,9,2,6,7,11,8/E:(1,2)(3,4)(6,7)(10,11)/rA:14nCCCCCCCOCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s11;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88169 |
Area: | 376.331 |
Solvation: | -2.52658 |
Coulombic: | -13.1381 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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