Chemical ID: 7100933

COc1cc(ccc1OCC=C)CNC2CCCC2
Chemical ID:
7100933
Name [?]:
N-[(4-allyloxy-3-methoxy-phenyl)methyl]cyclopentanamine
SMILES [?]:
COc1cc(ccc1OCC=C)CNC2CCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-3-10-19-15-9-8-13(11-16(15)18-2)12-17-14-6-4-5-7-14/h3,8-9,11,14,17H,1,4-7,10,12H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,17,18,16,19,6,7,10,4,13,5,15,8,3,14,2,9/E:(4,5)(6,7)/rA:19nCOCCCCCCOCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:42
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.85403
Area:491.997
Solvation:-4.4459
Coulombic:-25.6691
Bond Count [?]
All:20
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):3.0

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Descriptor Annotations

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