Chemical ID: 4348358

COc1ccc(cc1)CNc2ccc(cc2)N3CCOCC3
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

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