Chemical ID: 6446701

CCOc1ccc(cc1)CNc2ccc(cc2)Oc3ccccc3
Chemical ID:
6446701
Name [?]:
N-[(4-ethoxyphenyl)methyl]-4-phenoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)CNc2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C21H21NO2/c1-2-23-19-12-8-17(9-13-19)16-22-18-10-14-21(15-11-18)24-20-6-4-3-5-7-20/h3-15,22H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,24,6,8,13,17,5,9,14,16,10,7,12,4,19,15,11,3,18/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:24nCCOCCCCCCCNCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5222
Area:556.651
Solvation:-3.39408
Coulombic:-29.62
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.397
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.2
LogP (Chemaxon):4.92

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Descriptor Annotations

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