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Chemical ID: 6657654
Chemical ID:
6657654
Name [?]:
2-(4-benzyloxy-3-methoxy-phenyl)-N-methyl-ethanamine
SMILES [?]:
CNCCc1ccc(c(c1)OC)OCc2ccccc2
InChi [?]:
InChI=1/C17H21NO2/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,18,17,19,16,20,6,7,4,3,10,14,5,15,8,9,2,11,13/E:(4,5)(6,7)/rA:20nCNCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79012 |
Area: | 503.792 |
Solvation: | -4.80468 |
Coulombic: | -25.3427 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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