Chemical ID: 7106744

CCOc1ccc(cc1OCC)CNCCN(C)C
Chemical ID:
7106744
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]-N',N'-dimethyl-ethane-1,2-diamine
SMILES [?]:
CCOc1ccc(cc1OCC)CNCCN(C)C
InChi [?]:
InChI=1/C15H26N2O2/c1-5-18-14-8-7-13(11-15(14)19-6-2)12-16-9-10-17(3)4/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,18,19,2,11,6,5,15,16,8,13,7,4,9,14,17,3,10/E:(3,4)/rA:19nCCOCCCCCCOCCCNCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H26N2O2
All Atoms:45
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.12702
Area:513.683
Solvation:-4.71506
Coulombic:-28.5899
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:266.379
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.79
LogP (Chemaxon):1.73

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