Chemical ID: 7108650

c1cc(c(c(c1)Cl)CNC2CCCCCCC2)Cl
Chemical ID:
7108650
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cyclooctanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C15H21Cl2N/c16-14-9-6-10-15(17)13(14)11-18-12-7-4-2-1-3-5-8-12/h6,9-10,12,18H,1-5,7-8,11H2
InChi Info:
AuxInfo=1/0/N:14,13,15,12,16,1,11,17,2,6,8,10,4,3,5,18,7,9/E:(2,3)(4,5)(7,8)(9,10)(14,15)(16,17)/rA:18nCCCCCCClCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21Cl2N
All Atoms:39
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.5935
Area:458.734
Solvation:-0.8748
Coulombic:-12.5642
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.239
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.74
LogP (Chemaxon):4.99

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