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Chemical ID: 4222751
Chemical ID:
4222751
Name [?]:
N-tert-butyl-4-(2,4,6-trimethylphenoxy)-butan-1-amine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCCCNC(C)(C)C)C
InChi [?]:
InChI=1/C17H29NO/c1-13-11-14(2)16(15(3)12-13)19-10-8-7-9-18-17(4,5)6/h11-12,18H,7-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,19,16,17,18,12,11,13,10,7,3,2,6,4,5,15,14,9/E:(2,3)(4,5,6)(11,12)(14,15)/rA:19nCCCCCCCCOCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.773 |
Area: | 507.735 |
Solvation: | -1.9204 |
Coulombic: | -18.0224 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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