Chemical ID: 7061714

CCCCN(C)CCOc1ccc(cc1Cl)Cl
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

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