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Chemical ID: 5167967
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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