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Chemical ID: 6666344
Chemical ID:
6666344
Name [?]:
1-diethylamino-3-(2-methylphenoxy)-propan-2-ol
SMILES [?]:
CCN(CC)CC(COc1ccccc1C)O
InChi [?]:
InChI=1/C14H23NO2/c1-4-15(5-2)10-13(16)11-17-14-9-7-6-8-12(14)3/h6-9,13,16H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,13,12,14,11,6,8,15,7,10,3,17,9/E:(1,2)(4,5)/rA:17cCCNCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s7;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.30601 |
Area: | 453.932 |
Solvation: | -4.04228 |
Coulombic: | -29.8437 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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