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Chemical ID: 7100933
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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