Chemical ID: 4294953

CCCCNCCCCCCOc1ccc(cc1Cl)Cl
Chemical ID:
4294953
Name [?]:
N-butyl-6-(2,4-dichlorophenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C16H25Cl2NO/c1-2-3-10-19-11-6-4-5-7-12-20-16-9-8-14(17)13-15(16)18/h8-9,13,19H,2-7,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,9,7,10,15,14,4,6,11,17,16,18,13,20,19,5,12/rA:20nCCCCNCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25Cl2NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:12.3598
Area:590.528
Solvation:-2.40337
Coulombic:-19.3491
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:318.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.58
LogP (Chemaxon):4.95

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