Chemical ID: 7027364

CC(C)(C)CC(C)(C)NCC(COc1ccccc1F)O
Chemical ID:
7027364
Name [?]:
1-(2-fluorophenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
CC(C)(C)CC(C)(C)NCC(COc1ccccc1F)O
InChi [?]:
InChI=1/C17H28FNO2/c1-16(2,3)12-17(4,5)19-10-13(20)11-21-15-9-7-6-8-14(15)18/h6-9,13,19-20H,10-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,17,16,18,15,10,12,5,11,19,14,2,6,20,9,21,13/E:(1,2,3)(4,5)/rA:21cCCCCCCCCNCCCOCCCCCCFO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28FNO2
All Atoms:49
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.36924
Area:504.607
Solvation:-5.24593
Coulombic:-37.9394
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.408
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):3.64

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Descriptor Annotations

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