Chemical ID: 5579283

CC(C)OCCCNCC(COCCOc1ccc(cc1)Cl)O
Chemical ID:
5579283
Name [?]:
1-[2-(4-chlorophenoxy)ethoxy]-3-(3-isopropoxypropylamino)propan-2-ol
SMILES [?]:
CC(C)OCCCNCC(COCCOc1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C17H28ClNO4/c1-14(2)22-9-3-8-19-12-16(20)13-21-10-11-23-17-6-4-15(18)5-7-17/h4-7,14,16,19-20H,3,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,18,20,17,21,7,5,13,14,9,11,2,19,10,16,22,8,23,12,4,15/E:(1,2)(4,5)(6,7)/rA:23cCCCOCCCNCCCOCCOCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28ClNO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.45663
Area:630.642
Solvation:-8.30942
Coulombic:-47.473
Bond Count [?]
All:23
Single:20
Double:3
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:345.861
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):2.04

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