Chemical ID: 7061784

CC(C)(C)c1ccc(cc1)OCCCN(CCOC)CCOC
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

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Experimental Annotations

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Descriptor Annotations

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