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Chemical ID: 7061784
Chemical ID:
7061784
Name [?]:
N,N-bis(2-methoxyethyl)-3-(4-tert-butylphenoxy)-propan-1-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCN(CCOC)CCOC
InChi [?]:
InChI=1/C19H33NO3/c1-19(2,3)17-7-9-18(10-8-17)23-14-6-11-20(12-15-21-4)13-16-22-5/h7-10H,6,11-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,19,23,13,6,10,7,9,14,16,20,12,17,21,5,8,2,15,18,22,11/E:(1,2,3)(4,5)(7,8)(9,10)(12,13)(15,16)(21,22)/rA:23nCCCCCCCCCCOCCCNCCOCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s18;s15;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H33NO3 |
All Atoms: | 56 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72731 |
Area: | 594.69 |
Solvation: | -7.13995 |
Coulombic: | -27.3048 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 323.47 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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