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Chemical ID: 7061716
Chemical ID:
7061716
Name [?]:
N-methyl-N-(2-phenoxyethyl)cyclohexanamine
SMILES [?]:
CN(CCOc1ccccc1)C2CCCCC2
InChi [?]:
InChI=1/C15H23NO/c1-16(14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,9,14,16,8,10,13,17,7,11,3,4,12,6,2,5/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCNCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 40 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.08251 |
Area: | 435.261 |
Solvation: | -2.79901 |
Coulombic: | -13.9888 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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