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Chemical ID: 5829804
Chemical ID:
5829804
Name [?]:
N-[(2-ethoxyphenyl)methyl]-N-ethyl-ethanamine
SMILES [?]:
CCN(CC)Cc1ccccc1OCC
InChi [?]:
InChI=1/C13H21NO/c1-4-14(5-2)11-12-9-7-8-10-13(12)15-6-3/h7-10H,4-6,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,14,9,10,8,11,6,7,12,3,13/E:(1,2)(4,5)/rA:15nCCNCCCCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51623 |
Area: | 402.255 |
Solvation: | -2.54015 |
Coulombic: | -13.3044 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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