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Chemical ID: 4397718
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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