Chemical ID: 4224635

CC(C)c1ccccc1OCCCN2CCOCC2
Chemical ID:
4224635
Name [?]:
4-[3-(2-isopropylphenoxy)propyl]morpholine
SMILES [?]:
CC(C)c1ccccc1OCCCN2CCOCC2
InChi [?]:
InChI=1/C16H25NO2/c1-14(2)15-6-3-4-7-16(15)19-11-5-8-17-9-12-18-13-10-17/h3-4,6-7,14H,5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,12,5,8,13,15,19,11,16,18,2,4,9,14,17,10/E:(1,2)(9,10)(12,13)/rA:19nCCCCCCCCCOCCCNCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.53618
Area:485.509
Solvation:-3.60155
Coulombic:-22.1711
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.375
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.94
LogP (Chemaxon):2.68

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Descriptor Annotations

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