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Chemical ID: 7061657
Chemical ID:
7061657
Name [?]:
N-propyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-1-amine
SMILES [?]:
CCCN(CCC)CCOc1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C18H31NO/c1-6-12-19(13-7-2)14-15-20-17-10-8-16(9-11-17)18(3,4)5/h8-11H,6-7,12-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,18,19,20,2,6,13,15,12,16,3,5,8,9,14,11,17,4,10/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO |
All Atoms: | 51 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5499 |
Area: | 532.406 |
Solvation: | -2.76025 |
Coulombic: | -14.7444 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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