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Chemical ID: 4348358
Chemical ID:
4348358
Name [?]:
N-[(4-methoxyphenyl)methyl]-4-morpholino-aniline
SMILES [?]:
COc1ccc(cc1)CNc2ccc(cc2)N3CCOCC3
InChi [?]:
InChI=1/C18H22N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,19H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,12,16,13,15,4,8,18,22,19,21,9,6,11,14,3,10,17,2,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCOCCCCCCCNCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36164 |
Area: | 515.025 |
Solvation: | -4.51397 |
Coulombic: | -34.419 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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