Chemical ID: 7120456

CC(COC)[NH2+]Cc1cc(cc(c1)OC)OC
Chemical ID:
7120456
Name [?]:
(3,5-dimethoxyphenyl)methyl-(2-methoxy-1-methyl-ethyl)-ammonium
SMILES [?]:
CC(COC)[NH2+]Cc1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C13H21NO3/c1-10(9-15-2)14-8-11-5-12(16-3)7-13(6-11)17-4/h5-7,10,14H,8-9H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,15,17,13,9,11,7,3,2,8,12,10,6,4,14,16/E:(3,4)(5,6)(12,13)(16,17)/rA:17cCCCOCN+CCCCCCCOCOC/rB:s1;s2;s3;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s10;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H22NO3+
All Atoms:39
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-24.1541
Area:451.008
Solvation:-35.4293
Coulombic:12.1453
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:240.319
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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