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Chemical ID: 4314365
Chemical ID:
4314365
Name [?]:
2-[2-(3,5-dimethylphenoxy)ethylamino]ethanol
SMILES [?]:
Cc1cc(cc(c1)OCCNCCO)C
InChi [?]:
InChI=1/C12H19NO2/c1-10-7-11(2)9-12(8-10)15-6-4-13-3-5-14/h7-9,13-14H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,10,13,9,3,7,5,2,4,6,11,14,8/E:(1,2)(8,9)(10,11)/rA:15nCCCCCCCOCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63404 |
Area: | 421.922 |
Solvation: | -3.914 |
Coulombic: | -32.7617 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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