Chemical ID: 4180655

CCCCNCCCOc1c(cccc1Cl)Cl
Chemical ID:
4180655
Name [?]:
N-[3-(2,6-dichlorophenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-2-3-8-16-9-5-10-17-13-11(14)6-4-7-12(13)15/h4,6-7,16H,2-3,5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,7,12,14,4,6,8,11,15,10,17,16,5,9/E:(6,7)(11,12)(14,15)/rA:17nCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.2176
Area:494.523
Solvation:-2.14544
Coulombic:-19.3618
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.202
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):3.71

Name Annotations

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Descriptor Annotations

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