Chemical ID: 7108666

CCOc1ccc(cc1)CNC2CCCCCCC2
Chemical ID:
7108666
Name [?]:
N-[(4-ethoxyphenyl)methyl]cyclooctanamine
SMILES [?]:
CCOc1ccc(cc1)CNC2CCCCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-2-19-17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16/h10-13,16,18H,2-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,18,13,19,6,8,5,9,10,7,12,4,11,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19nCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:46
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.69178
Area:478.302
Solvation:-2.26576
Coulombic:-18.6296
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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