Chemical ID: 4956506

CC(C)c1cc(cc(c1OCCN(C)C)C(C)C)Cc2ccccc2
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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