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Chemical ID: 7061761
Chemical ID:
7061761
Name [?]:
N-butyl-N-[3-(4-methylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCCOc1ccc(cc1)C
InChi [?]:
InChI=1/C18H31NO/c1-4-6-13-19(14-7-5-2)15-8-16-20-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,20,2,8,3,7,11,16,18,15,19,4,6,10,12,17,14,5,13/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:20nCCCCNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO |
All Atoms: | 51 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6059 |
Area: | 557.594 |
Solvation: | -2.33401 |
Coulombic: | -15.216 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 277.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.28 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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