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Chemical ID: 7285215
Chemical ID:
7285215
Name [?]:
2-(4-methoxyphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CCNCc2ccccc2OCC#C
InChi [?]:
InChI=1/C19H21NO2/c1-3-14-22-19-7-5-4-6-17(19)15-20-13-12-16-8-10-18(21-2)11-9-16/h1,4-11,20H,12-15H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,15,16,14,17,5,7,4,8,9,10,20,12,6,13,3,18,11,2,19/E:(8,9)(10,11)/rA:22nCOCCCCCCCCNCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO2 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18973 |
Area: | 550.698 |
Solvation: | -4.57772 |
Coulombic: | -27.423 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 295.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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