Chemical ID: 6461352

c1cc(c(c(c1)Cl)CNC2CCCC2)Cl
Chemical ID:
6461352
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cyclopentanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCC2)Cl
InChi [?]:
InChI=1/C12H15Cl2N/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2
InChi Info:
AuxInfo=1/0/N:12,13,1,11,14,2,6,8,10,4,3,5,15,7,9/E:(1,2)(4,5)(6,7)(11,12)(13,14)/rA:15nCCCCCCClCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Cl2N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.43545
Area:412.587
Solvation:-0.879232
Coulombic:-11.6619
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.16
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.04
LogP (Chemaxon):3.8

Name Annotations

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Descriptor Annotations

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