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Chemical ID: 4244105
Chemical ID:
4244105
Name [?]:
1-(cyclohexyl-methyl-amino)-3-(2-fluorophenoxy)-propan-2-ol
SMILES [?]:
CN(CC(COc1ccccc1F)O)C2CCCCC2
InChi [?]:
InChI=1/C16H24FNO2/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17/h5-6,9-10,13-14,19H,2-4,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,10,9,16,20,11,8,3,5,15,4,12,7,13,2,14,6/E:(3,4)(7,8)/rA:20cCNCCCOCCCCCCFOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s4;s2;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24FNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.37162 |
Area: | 485.031 |
Solvation: | -5.75417 |
Coulombic: | -33.466 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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