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Chemical ID: 7102840
Chemical ID:
7102840
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C16H27NO2/c1-4-6-7-8-11-17-13-14-9-10-15(19-5-2)16(12-14)18-3/h9-10,12,17H,4-8,11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,16,2,18,3,4,5,10,11,6,14,8,9,12,13,7,15,17/rA:19nCCCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 46 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74494 |
Area: | 524.485 |
Solvation: | -4.36719 |
Coulombic: | -24.82 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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