Chemical ID: 7106910

CCOc1cc(cc(c1OCC)Cl)CNC2CCCCCCC2
Chemical ID:
7106910
Name [?]:
N-[(3-chloro-4,5-diethoxy-phenyl)methyl]cyclooctanamine
SMILES [?]:
CCOc1cc(cc(c1OCC)Cl)CNC2CCCCCCC2
InChi [?]:
InChI=1/C19H30ClNO2/c1-3-22-18-13-15(12-17(20)19(18)23-4-2)14-21-16-10-8-6-5-7-9-11-16/h12-13,16,21H,3-11,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,20,19,21,18,22,17,23,7,5,14,6,16,8,4,9,13,15,3,10/E:(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCOCCClCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s6;s14;s15;s16;s17;s18;s19;s20;s21;s16s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30ClNO2
All Atoms:53
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6446
Area:569.609
Solvation:-3.59558
Coulombic:-26.1949
Bond Count [?]
All:24
Single:21
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.9
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):4.65

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Descriptor Annotations

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