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Chemical ID: 4255534
Chemical ID:
4255534
Name [?]:
1-diethylamino-3-(4-methoxyphenoxy)-propan-2-ol
SMILES [?]:
CCN(CC)CC(COc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C14H23NO3/c1-4-15(5-2)10-12(16)11-18-14-8-6-13(17-3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,12,14,11,15,6,8,7,13,10,3,18,16,9/E:(1,2)(4,5)(6,7)(8,9)/rA:18cCCNCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.40882 |
Area: | 471.608 |
Solvation: | -5.38139 |
Coulombic: | -35.9781 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 253.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.88 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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