Chemical ID: 7108745

c1ccc(c(c1)CNC2CCCCCCC2)Cl
Chemical ID:
7108745
Name [?]:
N-[(2-chlorophenyl)methyl]cyclooctanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C15H22ClN/c16-15-11-7-6-8-13(15)12-17-14-9-4-2-1-3-5-10-14/h6-8,11,14,17H,1-5,9-10,12H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,2,6,10,16,3,7,5,9,4,17,8/E:(2,3)(4,5)(9,10)/rA:17nCCCCCCCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s9s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClN
All Atoms:39
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.95721
Area:433.261
Solvation:-0.874314
Coulombic:-12.5485
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.795
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.12
LogP (Chemaxon):4.47

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Descriptor Annotations

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