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Chemical ID: 7244353
Chemical ID:
7244353
Name [?]:
N-[(2-allyloxyphenyl)methyl]-3,4-dimethyl-aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccccc2OCC=C
InChi [?]:
InChI=1/C18H21NO/c1-4-11-20-18-8-6-5-7-16(18)13-19-17-10-9-14(2)15(3)12-17/h4-10,12,19H,1,11,13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:20,1,8,19,13,14,12,15,3,4,18,6,10,2,7,11,5,16,9,17/rA:20nCCCCCCCCNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86702 |
Area: | 501.035 |
Solvation: | -2.65884 |
Coulombic: | -22.6985 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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