Chemical ID: 4293921

CCCCNCCCCCOc1cccc(c1Cl)Cl
Chemical ID:
4293921
Name [?]:
N-butyl-5-(2,3-dichlorophenoxy)-pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1cccc(c1Cl)Cl
InChi [?]:
InChI=1/C15H23Cl2NO/c1-2-3-10-18-11-5-4-6-12-19-14-9-7-8-13(16)15(14)17/h7-9,18H,2-6,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,7,9,14,15,13,4,6,10,16,12,17,19,18,5,11/rA:19nCCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23Cl2NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:11.4626
Area:555.553
Solvation:-2.42621
Coulombic:-19.2927
Bond Count [?]
All:19
Single:16
Double:3
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.255
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):4.55

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Descriptor Annotations

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