Chemical ID: 4293695

CCCCNCCCCCOc1ccc(cc1Cl)Cl
Chemical ID:
4293695
Name [?]:
N-butyl-5-(2,4-dichlorophenoxy)-pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C15H23Cl2NO/c1-2-3-9-18-10-5-4-6-11-19-15-8-7-13(16)12-14(15)17/h7-8,12,18H,2-6,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,7,9,14,13,4,6,10,16,15,17,12,19,18,5,11/rA:19nCCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23Cl2NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:11.5933
Area:560.149
Solvation:-2.41042
Coulombic:-18.979
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

Name Annotations

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Descriptor Annotations

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