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Chemical ID: 4181236
Chemical ID:
4181236
Name [?]:
N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C17H21NO2/c1-12-5-7-15(9-13(12)2)18-11-14-6-8-16(19-3)17(10-14)20-4/h5-10,18H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,20,18,3,12,4,13,6,16,10,2,7,11,5,14,15,9,19,17/rA:20nCCCCCCCCNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62698 |
Area: | 492.326 |
Solvation: | -4.68117 |
Coulombic: | -27.0044 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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