Chemical ID: 7106691

CCN(CC)CCNCc1ccc(c(c1)OC)OCC
Chemical ID:
7106691
Name [?]:
N'-[(4-ethoxy-3-methoxy-phenyl)methyl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C16H28N2O2/c1-5-18(6-2)11-10-17-13-14-8-9-15(20-7-3)16(12-14)19-4/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,20,17,2,4,19,11,12,7,6,15,9,10,13,14,8,3,16,18/E:(1,2)(5,6)/rA:20nCCNCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O2
All Atoms:48
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.56858
Area:534.381
Solvation:-4.79094
Coulombic:-28.6539
Bond Count [?]
All:20
Single:17
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:280.406
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.22
LogP (Chemaxon):2.07

Name Annotations

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Descriptor Annotations

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