Chemical ID: 7061693

CC(C)CN(CCOc1ccc(cc1Cl)Cl)CC(C)C
Chemical ID:
7061693
Name [?]:
N-[2-(2,4-dichlorophenoxy)ethyl]-N-isobutyl-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CN(CCOc1ccc(cc1Cl)Cl)CC(C)C
InChi [?]:
InChI=1/C16H25Cl2NO/c1-12(2)10-19(11-13(3)4)7-8-20-16-6-5-14(17)9-15(16)18/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,11,10,6,7,13,4,17,2,18,12,14,9,16,15,5,8/E:(1,2,3,4)(10,11)(12,13)/rA:20nCCCCNCCOCCCCCCClClCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s5;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25Cl2NO
All Atoms:45
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.842
Area:505.443
Solvation:-1.79409
Coulombic:-15.3525
Bond Count [?]
All:20
Single:17
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.19
LogP (Chemaxon):5.24

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Descriptor Annotations

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