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Chemical ID: 4183116
Chemical ID:
4183116
Name [?]:
N-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dimethyl-aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccc(c(c2)C)OC
InChi [?]:
InChI=1/C17H21NO/c1-12-5-7-16(10-13(12)2)18-11-15-6-8-17(19-4)14(3)9-15/h5-10,18H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,17,19,3,12,4,13,16,6,10,2,7,15,11,5,14,9,18/rA:19nCCCCCCCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37287 |
Area: | 476.173 |
Solvation: | -2.53145 |
Coulombic: | -20.6878 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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