ChemDB: Chemical Search
Download
Chemical ID: 5781617
Chemical ID:
5781617
Name [?]:
1-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1)CN(Cc2ccc(cc2)OC)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C24H27NO3/c1-26-22-10-4-19(5-11-22)16-25(17-20-6-12-23(27-2)13-7-20)18-21-8-14-24(28-3)15-9-21/h4-15H,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,28,5,7,13,17,22,26,4,8,14,16,23,25,9,11,20,6,12,21,3,15,24,10,2,18,27/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18)(19,20,21)(22,23,24)(26,27,28)/rA:28nCOCCCCCCCNCCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s10;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31106 |
Area: | 618.765 |
Solvation: | -6.15805 |
Coulombic: | -28.9239 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|