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Chemical ID: 7061783
Chemical ID:
7061783
Name [?]:
3-(2-isopropyl-5-methyl-phenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCN(CCOC)CCOC)C(C)C
InChi [?]:
InChI=1/C19H33NO3/c1-16(2)18-8-7-17(3)15-19(18)23-12-6-9-20(10-13-21-4)11-14-22-5/h7-8,15-16H,6,9-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:22,23,1,16,20,10,3,4,11,13,17,9,14,18,7,21,2,5,6,12,15,19,8/E:(1,2)(4,5)(10,11)(13,14)(21,22)/rA:23nCCCCCCCOCCCNCCOCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12;s17;s18;s19;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H33NO3 |
All Atoms: | 56 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61778 |
Area: | 582.593 |
Solvation: | -5.94705 |
Coulombic: | -28.4687 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 323.47 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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