Chemical ID: 4576563

CC(C)CCC1(CCOC(C1)(C)C)CCNCc2ccc(cc2)OC(C)C
Chemical ID:
4576563
Name [?]:
2-(4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl)-N-[(4-isopropoxyphenyl)methyl]ethanamine
SMILES [?]:
CC(C)CCC1(CCOC(C1)(C)C)CCNCc2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C24H41NO2/c1-19(2)11-12-24(14-16-26-23(5,6)18-24)13-15-25-17-21-7-9-22(10-8-21)27-20(3)4/h7-10,19-20,25H,11-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,26,27,12,13,19,23,20,22,4,5,14,7,15,8,17,11,2,25,18,21,10,6,16,9,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:27cCCCCCCCCOCCCCCCNCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s10;s6;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H41NO2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.5868
Area:646.837
Solvation:-3.58408
Coulombic:-27.1332
Bond Count [?]
All:28
Single:25
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:375.588
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.94
LogP (Chemaxon):5.1

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