Chemical ID: 7061777

CC(C)CN(CCCOc1ccc(cc1)Cl)CC(C)C
Chemical ID:
7061777
Name [?]:
N-[3-(4-chlorophenoxy)propyl]-N-isobutyl-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CN(CCCOc1ccc(cc1)Cl)CC(C)C
InChi [?]:
InChI=1/C17H28ClNO/c1-14(2)12-19(13-15(3)4)10-5-11-20-17-8-6-16(18)7-9-17/h6-9,14-15H,5,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,7,12,14,11,15,6,8,4,17,2,18,13,10,16,5,9/E:(1,2,3,4)(6,7)(8,9)(12,13)(14,15)/rA:20nCCCCNCCCOCCCCCCClCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s5;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28ClNO
All Atoms:48
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.3995
Area:544.641
Solvation:-2.21649
Coulombic:-15.2676
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.863
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):4.77

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