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Chemical ID: 7106744
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
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Experimental Annotations
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Descriptor Annotations
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