Chemical ID: 4235623

CC(C)NCCCCOc1ccc(c(c1)Cl)Cl
Chemical ID:
4235623
Name [?]:
4-(3,4-dichlorophenoxy)-N-isopropyl-butan-1-amine
SMILES [?]:
CC(C)NCCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-10(2)16-7-3-4-8-17-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,11,12,5,8,15,2,10,13,14,17,16,4,9/E:(1,2)/rA:17nCCCNCCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.2939
Area:499.222
Solvation:-2.18664
Coulombic:-17.9938
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.202
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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