Chemical ID: 4256027

CC(C)(C)CC(C)(C)NCC(COc1cccc(c1)OC)O
Chemical ID:
4256027
Name [?]:
1-(3-methoxyphenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
CC(C)(C)CC(C)(C)NCC(COc1cccc(c1)OC)O
InChi [?]:
InChI=1/C18H31NO3/c1-17(2,3)13-18(4,5)19-11-14(20)12-22-16-9-7-8-15(10-16)21-6/h7-10,14,19-20H,11-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,21,16,17,15,19,10,12,5,11,18,14,2,6,9,22,20,13/E:(1,2,3)(4,5)/rA:22cCCCCCCCCNCCCOCCCCCCOCO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.92018
Area:534.516
Solvation:-5.44272
Coulombic:-40.4106
Bond Count [?]
All:22
Single:19
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:309.444
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.25

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Descriptor Annotations

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