Chemical ID: 4412464

Cc1ccc(c(c1)OCCN2CCCC2)C(C)(C)C
Chemical ID:
4412464
Name [?]:
1-[2-(5-methyl-2-tert-butyl-phenoxy)ethyl]pyrrolidine
SMILES [?]:
Cc1ccc(c(c1)OCCN2CCCC2)C(C)(C)C
InChi [?]:
InChI=1/C17H27NO/c1-14-7-8-15(17(2,3)4)16(13-14)19-12-11-18-9-5-6-10-18/h7-8,13H,5-6,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,3,4,12,15,10,9,7,2,5,6,16,11,8/E:(2,3,4)(5,6)(9,10)/rA:19nCCCCCCCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s11s14;s5;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.15768
Area:467.148
Solvation:-2.52103
Coulombic:-13.6155
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.34
LogP (Chemaxon):4.19

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