Chemical ID: 4182926

CCOc1cc(ccc1OC)CNC2CCCCC2
Chemical ID:
4182926
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]cyclohexanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNC2CCCCC2
InChi [?]:
InChI=1/C16H25NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,16,18,15,19,7,8,5,12,6,14,9,4,13,10,3/E:(5,6)(7,8)/rA:19nCCOCCCCCCOCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.74986
Area:483.968
Solvation:-4.34935
Coulombic:-24.2902
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.375
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.35
LogP (Chemaxon):2.99

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