Chemical ID: 7061700

Cc1ccc(c(c1)OCCN(CCOC)CCOC)C(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue