Chemical ID: 7061679

CCCCN(CCCC)CCOc1cc(ccc1C(C)C)C
Chemical ID:
7061679
Name [?]:
N-butyl-N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCOc1cc(ccc1C(C)C)C
InChi [?]:
InChI=1/C20H35NO/c1-6-8-12-21(13-9-7-2)14-15-22-20-16-18(5)10-11-19(20)17(3)4/h10-11,16-17H,6-9,12-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,20,21,22,2,8,3,7,16,17,4,6,10,11,14,19,15,18,13,5,12/E:(1,2)(3,4)(6,7)(8,9)(12,13)/rA:22nCCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H35NO
All Atoms:57
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.0475
Area:590.524
Solvation:-2.71563
Coulombic:-15.169
Bond Count [?]
All:22
Single:19
Double:3
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:305.498
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.12
LogP (Chemaxon):5.85

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