Chemical ID: 4289571

Cc1ccc(c(c1)OCCCCCCN2CCCC2)C
Chemical ID:
4289571
Name [?]:
1-[6-(2,5-dimethylphenoxy)hexyl]pyrrolidine
SMILES [?]:
Cc1ccc(c(c1)OCCCCCCN2CCCC2)C
InChi [?]:
InChI=1/C18H29NO/c1-16-9-10-17(2)18(15-16)20-14-8-4-3-5-11-19-12-6-7-13-19/h9-10,15H,3-8,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,11,13,17,18,10,3,4,14,16,19,9,7,2,5,6,15,8/E:(6,7)(12,13)/rA:20nCCCCCCCOCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.9103
Area:528.297
Solvation:-2.29709
Coulombic:-14.3503
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.429
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):4.33

Name Annotations

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Descriptor Annotations

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