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Chemical ID: 4506472
Chemical ID:
4506472
Name [?]:
N-(2-furylmethyl)-2-methoxy-5-phenyl-aniline
SMILES [?]:
COc1ccc(cc1NCc2ccco2)c3ccccc3
InChi [?]:
InChI=1/C18H17NO2/c1-20-18-10-9-15(14-6-3-2-4-7-14)12-17(18)19-13-16-8-5-11-21-16/h2-12,19H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,13,17,21,12,5,4,14,7,10,16,6,11,8,3,9,2,15/E:(3,4)(6,7)/rA:21nCOCCCCCCNCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s6;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31145 |
Area: | 495.998 |
Solvation: | -4.08851 |
Coulombic: | -27.9437 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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