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Chemical ID: 7106755
Chemical ID:
7106755
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]-N',N'-dimethyl-ethane-1,2-diamine
SMILES [?]:
CCOc1cc(ccc1OC)CNCCN(C)C
InChi [?]:
InChI=1/C14H24N2O2/c1-5-18-14-10-12(6-7-13(14)17-4)11-15-8-9-16(2)3/h6-7,10,15H,5,8-9,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,11,2,7,8,14,15,5,12,6,9,4,13,16,10,3/E:(2,3)/rA:18nCCOCCCCCCOCCNCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O2 |
All Atoms: | 42 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27362 |
Area: | 486.211 |
Solvation: | -4.88166 |
Coulombic: | -28.2428 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 252.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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