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Chemical ID: 7102590
Chemical ID:
7102590
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(c(c1)OCC)OC
InChi [?]:
InChI=1/C14H23NO2/c1-4-6-9-15-11-12-7-8-13(16-3)14(10-12)17-5-2/h7-8,10,15H,4-6,9,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,17,2,14,3,8,9,4,12,6,7,10,11,5,16,13/rA:17nCCCCNCCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s10;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2 |
All Atoms: | 40 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41826 |
Area: | 471.121 |
Solvation: | -4.35975 |
Coulombic: | -24.2112 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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