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Chemical ID: 7061719
Chemical ID:
7061719
Name [?]:
N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclohexanamine
SMILES [?]:
Cc1cccc(c1)OCCN(C)C2CCCCC2
InChi [?]:
InChI=1/C16H25NO/c1-14-7-6-10-16(13-14)18-12-11-17(2)15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,16,15,17,4,3,14,18,5,10,9,7,2,13,6,11,8/E:(4,5)(8,9)/rA:18cCCCCCCCOCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.71949 |
Area: | 459.711 |
Solvation: | -2.77329 |
Coulombic: | -13.7937 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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