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Chemical ID: 7042775
Chemical ID:
7042775
Name [?]:
1-(3-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNC(C)c2ccccc2)O
InChi [?]:
InChI=1/C18H23NO2/c1-14-7-6-10-18(11-14)21-13-17(20)12-19-15(2)16-8-4-3-5-9-16/h3-11,15,17,19-20H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,19,4,3,16,20,5,7,11,9,2,13,15,10,6,12,21,8/E:(4,5)(8,9)/rA:21cCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;d15s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.47718 |
Area: | 523.614 |
Solvation: | -4.61316 |
Coulombic: | -34.835 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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