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Chemical ID: 4121674
Chemical ID:
4121674
Name [?]:
4-methoxy-N-methyl-N-phenyl-aniline
SMILES [?]:
CN(c1ccccc1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C14H15NO/c1-15(12-6-4-3-5-7-12)13-8-10-14(16-2)11-9-13/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,6,5,7,4,8,10,14,11,13,3,9,12,2,15/E:(4,5)(6,7)(8,9)(10,11)/rA:16nCNCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53916 |
Area: | 399.209 |
Solvation: | -2.44106 |
Coulombic: | -15.0134 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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