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Chemical ID: 5571071
Chemical ID:
5571071
Name [?]:
1-(3-ethylphenoxy)-3-phenethylamino-propan-2-ol
SMILES [?]:
CCc1cccc(c1)OCC(CNCCc2ccccc2)O
InChi [?]:
InChI=1/C19H25NO2/c1-2-16-9-6-10-19(13-16)22-15-18(21)14-20-12-11-17-7-4-3-5-8-17/h3-10,13,18,20-21H,2,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,5,17,21,4,6,15,14,8,12,10,3,16,11,7,13,22,9/E:(4,5)(7,8)/rA:22cCCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.38074 |
Area: | 560.38 |
Solvation: | -4.62876 |
Coulombic: | -35.1612 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.407 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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