Chemical ID: 4244105

CN(CC(COc1ccccc1F)O)C2CCCCC2
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

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