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Chemical ID: 7336567
Chemical ID:
7336567
Name [?]:
1-(2,5-dichlorophenoxy)-3-(1,5-dimethylhexylamino)propan-2-ol
SMILES [?]:
CC(C)CCCC(C)NCC(COc1cc(ccc1Cl)Cl)O
InChi [?]:
InChI=1/C17H27Cl2NO2/c1-12(2)5-4-6-13(3)20-10-15(21)11-22-17-9-14(18)7-8-16(17)19/h7-9,12-13,15,20-21H,4-6,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,8,5,4,6,17,18,15,10,12,2,7,16,11,19,14,21,20,9,22,13/E:(1,2)/rA:22cCCCCCCCCNCCCOCCCCCCClClO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27Cl2NO2 |
All Atoms: | 49 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6569 |
Area: | 606.169 |
Solvation: | -4.49733 |
Coulombic: | -34.733 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 348.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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