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Chemical ID: 4177718
Chemical ID:
4177718
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-4-ethyl-cyclohexan-1-amine
SMILES [?]:
CCC1CCC(CC1)NCc2cccc(c2OC)OC
InChi [?]:
InChI=1/C17H27NO2/c1-4-13-8-10-15(11-9-13)18-12-14-6-5-7-16(19-2)17(14)20-3/h5-7,13,15,18H,4,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,13,12,14,4,8,5,7,10,3,11,6,15,16,9,19,17/E:(8,9)(10,11)/rA:20nCCCCCCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5 |
Area: | 483.652 |
Solvation: | -3.59129 |
Coulombic: | -25.6764 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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