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Chemical ID: 7513368
Chemical ID:
7513368
Name [?]:
N-(2-methoxyethyl)-2-(4-tert-butylphenoxy)-ethanamine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCNCCOC
InChi [?]:
InChI=1/C15H25NO2/c1-15(2,3)13-5-7-14(8-6-13)18-12-10-16-9-11-17-4/h5-8,16H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,6,10,7,9,15,13,16,12,5,8,2,14,17,11/E:(1,2,3)(5,6)(7,8)/rA:18nCCCCCCCCCCOCCNCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.85316 |
Area: | 484.657 |
Solvation: | -4.26327 |
Coulombic: | -24.9531 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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