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Chemical ID: 7061700
Chemical ID:
7061700
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N,N-bis(2-methoxyethyl)ethanamine
SMILES [?]:
Cc1ccc(c(c1)OCCN(CCOC)CCOC)C(C)C
InChi [?]:
InChI=1/C18H31NO3/c1-15(2)17-7-6-16(3)14-18(17)22-13-10-19(8-11-20-4)9-12-21-5/h6-7,14-15H,8-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:21,22,1,15,19,3,4,12,16,10,13,17,9,7,20,2,5,6,11,14,18,8/E:(1,2)(4,5)(8,9)(11,12)(20,21)/rA:22nCCCCCCCOCCNCCOCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s11;s16;s17;s18;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO3 |
All Atoms: | 53 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.74513 |
Area: | 544.069 |
Solvation: | -7.85661 |
Coulombic: | -25.781 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 309.444 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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