Chemical ID: 7453235

COc1ccc(cc1OC)CNCC[NH+]2CCOCC2
Chemical ID:
7453235
Name [?]:
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-oxa-4-azoniacyclohex-4-yl)ethanamine
SMILES [?]:
COc1ccc(cc1OC)CNCC[NH+]2CCOCC2
InChi [?]:
InChI=1/C15H24N2O3/c1-18-14-4-3-13(11-15(14)19-2)12-16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,5-10,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,5,4,13,14,16,20,17,19,7,11,6,3,8,12,15,2,9,18/E:(7,8)(9,10)/rA:20nCOCCCCCCOCCNCCN+CCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25N2O3+
All Atoms:45
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-25.9981
Area:504.153
Solvation:-38.6019
Coulombic:3.0974
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.55
LogP (Chemaxon):0.7

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