Chemical ID: 4236952

CCC(C)NCCCOc1cc(ccc1Cl)Cl
Chemical ID:
4236952
Name [?]:
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
SMILES [?]:
CCC(C)NCCCOc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-3-10(2)16-7-4-8-17-13-9-11(14)5-6-12(13)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,7,13,14,6,8,11,3,12,15,10,17,16,5,9/rA:17cCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:10.0772
Area:497.456
Solvation:-2.35914
Coulombic:-18.1987
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):3.72

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Descriptor Annotations

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