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Chemical ID: 7102418
Chemical ID:
7102418
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]cyclohexanamine
SMILES [?]:
COc1cccc(c1OC)CNC2CCCCC2
InChi [?]:
InChI=1/C15H23NO2/c1-17-14-10-6-7-12(15(14)18-2)11-16-13-8-4-3-5-9-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,5,6,14,18,4,11,7,13,3,8,12,2,9/E:(4,5)(8,9)/rA:18nCOCCCCCCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30126 |
Area: | 443.478 |
Solvation: | -3.78568 |
Coulombic: | -24.9717 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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