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Chemical ID: 4182919
Chemical ID:
4182919
Name [?]:
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-aniline
SMILES [?]:
Cc1cc(cc(c1)NCc2cccc(c2)OC)C
InChi [?]:
InChI=1/C16H19NO/c1-12-7-13(2)9-15(8-12)17-11-14-5-4-6-16(10-14)18-3/h4-10,17H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,12,11,13,3,7,5,15,9,2,4,10,6,14,8,16/E:(1,2)(8,9)(12,13)/rA:18nCCCCCCCNCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82713 |
Area: | 455.295 |
Solvation: | -2.55524 |
Coulombic: | -20.8201 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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