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Chemical ID: 6663161
Chemical ID:
6663161
Name [?]:
2-[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octoxy]aniline
SMILES [?]:
CC(CCC(COc1ccccc1N)C(C)CC(C)(C)C)CC(C)(C)C
InChi [?]:
InChI=1/C24H43NO/c1-18(15-23(3,4)5)13-14-20(19(2)16-24(6,7)8)17-26-22-12-10-9-11-21(22)25/h9-12,18-20H,13-17,25H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,16,24,25,26,19,20,21,11,10,12,9,3,4,22,17,6,2,15,5,13,8,23,18,14,7/E:(3,4,5)(6,7,8)/rA:26cCCCCCCOCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5;s15;s15;s17;s18;s18;s18;s2;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H43NO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 13.5039 |
Area: | 612.468 |
Solvation: | -1.80779 |
Coulombic: | -29.7053 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.604 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 8.52 |
LogP (Chemaxon): | 7.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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