Chemical ID: 4178935

COc1ccccc1CNc2cc(ccc2OC)c3ccccc3
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

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Descriptor Annotations

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