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Chemical ID: 4178935
Chemical ID:
4178935
Name [?]:
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenyl-aniline
SMILES [?]:
COc1ccccc1CNc2cc(ccc2OC)c3ccccc3
InChi [?]:
InChI=1/C21H21NO2/c1-23-20-11-7-6-10-18(20)15-22-19-14-17(12-13-21(19)24-2)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,22,21,23,6,5,20,24,7,4,14,15,12,9,19,13,8,11,3,16,10,2,17/E:(4,5)(8,9)/rA:24nCOCCCCCCCNCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11015 |
Area: | 546.013 |
Solvation: | -4.54016 |
Coulombic: | -29.3794 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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