Chemical ID: 5167967

CCCCN(CCCC)CCCOc1cc(ccc1C(C)C)C
Chemical ID:
5167967
Name [?]:
N-butyl-N-[3-(2-isopropyl-5-methyl-phenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCCOc1cc(ccc1C(C)C)C
InChi [?]:
InChI=1/C21H37NO/c1-6-8-13-22(14-9-7-2)15-10-16-23-21-17-19(5)11-12-20(21)18(3)4/h11-12,17-18H,6-10,13-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,21,22,23,2,8,3,7,11,17,18,4,6,10,12,15,20,16,19,14,5,13/E:(1,2)(3,4)(6,7)(8,9)(13,14)/rA:23nCCCCNCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H37NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:13.2634
Area:619.565
Solvation:-2.22572
Coulombic:-15.887
Bond Count [?]
All:23
Single:20
Double:3
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:319.525
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.48
LogP (Chemaxon):5.9

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Descriptor Annotations

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