Chemical ID: 5568495

CC(C)(C)CC(C)(C)NCC(COc1cccc(c1)Br)O
Chemical ID:
5568495
Name [?]:
1-(3-bromophenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
CC(C)(C)CC(C)(C)NCC(COc1cccc(c1)Br)O
InChi [?]:
InChI=1/C17H28BrNO2/c1-16(2,3)12-17(4,5)19-10-14(20)11-21-15-8-6-7-13(18)9-15/h6-9,14,19-20H,10-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,16,17,15,19,10,12,5,18,11,14,2,6,20,9,21,13/E:(1,2,3)(4,5)/rA:21cCCCCCCCCNCCCOCCCCCCBrO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.2199
Area:527.565
Solvation:-3.96922
Coulombic:-34.0309
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.314
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.29

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