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Chemical ID: 4956506
Chemical ID:
4956506
Name [?]:
2-(4-benzyl-2,6-diisopropyl-phenoxy)-N,N-dimethyl-ethanamine
SMILES [?]:
CC(C)c1cc(cc(c1OCCN(C)C)C(C)C)Cc2ccccc2
InChi [?]:
InChI=1/C23H33NO/c1-17(2)21-15-20(14-19-10-8-7-9-11-19)16-22(18(3)4)23(21)25-13-12-24(5)6/h7-11,15-18H,12-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,14,15,23,22,24,21,25,12,11,19,5,7,2,16,20,6,4,8,9,13,10/E:(1,2,3,4)(5,6)(8,9)(10,11)(15,16)(17,18)(21,22)/rA:25nCCCCCCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s13;s8;s16;s16;s6;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5187 |
Area: | 578.734 |
Solvation: | -2.94967 |
Coulombic: | -16.0931 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.514 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.14 |
LogP (Chemaxon): | 6.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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