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Chemical ID: 5515003
Chemical ID:
5515003
Name [?]:
1-[(4-fluorophenyl)methylamino]-3-(4-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(cc1)OCC(CNCc2ccc(cc2)F)O
InChi [?]:
InChI=1/C17H20FNO2/c1-13-2-8-17(9-3-13)21-12-16(20)11-19-10-14-4-6-15(18)7-5-14/h2-9,16,19-20H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,15,19,16,18,4,6,13,11,9,2,14,17,10,5,20,12,21,8/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCOCCCNCCCCCCCFO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.20302 |
Area: | 515.44 |
Solvation: | -5.68298 |
Coulombic: | -37.4385 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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