Chemical ID: 7110048

CCOc1cccc(c1OCc2ccccc2)CNC3CCCCC3
Chemical ID:
7110048
Name [?]:
N-[(2-benzyloxy-3-ethoxy-phenyl)methyl]cyclohexanamine
SMILES [?]:
CCOc1cccc(c1OCc2ccccc2)CNC3CCCCC3
InChi [?]:
InChI=1/C22H29NO2/c1-2-24-21-15-9-12-19(16-23-20-13-7-4-8-14-20)22(21)25-17-18-10-5-3-6-11-18/h3,5-6,9-12,15,20,23H,2,4,7-8,13-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,23,14,16,22,24,6,13,17,7,21,25,5,18,11,12,8,20,4,9,19,3,10/E:(5,6)(7,8)(10,11)(13,14)/rA:25nCCOCCCCCCOCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s8;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29NO2
All Atoms:54
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.97024
Area:557.544
Solvation:-3.96837
Coulombic:-27.3555
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.471
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.06
LogP (Chemaxon):4.77

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