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Chemical ID: 6046172
Chemical ID:
6046172
Name [?]:
1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILES [?]:
CNCC1CCCCC1(c2cccc(c2)OC)O
InChi [?]:
InChI=1/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,6,7,12,5,11,13,8,15,3,10,4,14,9,2,18,16/rA:18cCNCCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.37043 |
Area: | 431.154 |
Solvation: | -3.40841 |
Coulombic: | -34.6155 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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