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Chemical ID: 7061668
Chemical ID:
7061668
Name [?]:
N-isopropyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-2-amine
SMILES [?]:
CC(C)N(CCOc1ccc(cc1)C(C)(C)C)C(C)C
InChi [?]:
InChI=1/C18H31NO/c1-14(2)19(15(3)4)12-13-20-17-10-8-16(9-11-17)18(5,6)7/h8-11,14-15H,12-13H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,15,16,17,10,12,9,13,5,6,2,18,11,8,14,4,7/E:(1,2,3,4)(5,6,7)(8,9)(10,11)(14,15)/rA:20nCCCNCCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;s4;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO |
All Atoms: | 51 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4584 |
Area: | 498.54 |
Solvation: | -2.00511 |
Coulombic: | -15.0126 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 277.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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