Chemical ID: 4506472

COc1ccc(cc1NCc2ccco2)c3ccccc3
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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