Chemical ID: 4397718

CC(C)CN(CC(C)C)CC(COc1ccccc1)O
Chemical ID:
4397718
Name [?]:
1-diisobutylamino-3-phenoxy-propan-2-ol
SMILES [?]:
CC(C)CN(CC(C)C)CC(COc1ccccc1)O
InChi [?]:
InChI=1/C17H29NO2/c1-14(2)10-18(11-15(3)4)12-16(19)13-20-17-8-6-5-7-9-17/h5-9,14-16,19H,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,17,16,18,15,19,4,6,10,12,2,7,11,14,5,20,13/E:(1,2,3,4)(6,7)(8,9)(10,11)(14,15)/rA:20cCCCCNCCCCCCCOCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.6775
Area:514.808
Solvation:-4.1927
Coulombic:-30.8615
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:279.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):3.83

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