Chemical ID: 4508955

CCOc1c(cc(cc1C(C)C)N)C(C)C
Chemical ID:
4508955
Name [?]:
4-ethoxy-3,5-diisopropyl-aniline
SMILES [?]:
CCOc1c(cc(cc1C(C)C)N)C(C)C
InChi [?]:
InChI=1/C14H23NO/c1-6-16-14-12(9(2)3)7-11(15)8-13(14)10(4)5/h7-10H,6,15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,11,12,15,16,2,8,6,10,14,7,9,5,4,13,3/E:(2,3,4,5)(7,8)(9,10)(12,13)/rA:16nCCOCCCCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s7;s5;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.855
Area:421.906
Solvation:-1.69265
Coulombic:-25.9099
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.339
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.93
LogP (Chemaxon):3.74

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