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Chemical ID: 7061714
Chemical ID:
7061714
Name [?]:
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-3-4-7-16(2)8-9-17-13-6-5-11(14)10-12(13)15/h5-6,10H,3-4,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,12,11,4,7,8,14,13,15,10,17,16,5,9/rA:17cCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19Cl2NO |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.87204 |
Area: | 480.77 |
Solvation: | -2.14722 |
Coulombic: | -14.6877 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.202 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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