Chemical ID: 7061783

Cc1ccc(c(c1)OCCCN(CCOC)CCOC)C(C)C
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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