Chemical ID: 7122482

CC(C)[NH2+]Cc1ccc(c(c1)OC)OC2CCCC2
Chemical ID:
7122482
Name [?]:
(4-cyclopentoxy-3-methoxy-phenyl)methyl-isopropyl-ammonium
SMILES [?]:
CC(C)[NH2+]Cc1ccc(c(c1)OC)OC2CCCC2
InChi [?]:
InChI=1/C16H25NO2/c1-12(2)17-11-13-8-9-15(16(10-13)18-3)19-14-6-4-5-7-14/h8-10,12,14,17H,4-7,11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,13,17,18,16,19,7,8,11,5,2,6,15,9,10,4,12,14/E:(1,2)(4,5)(6,7)/rA:19nCCCN+CCCCCCCOCOCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26NO2+
All Atoms:45
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-26.2521
Area:483.104
Solvation:-38.3297
Coulombic:22.1142
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.383
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.01

Name Annotations

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Descriptor Annotations

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