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Chemical ID: 7102680
Chemical ID:
7102680
Name [?]:
1-(3-ethoxy-4-methoxy-phenyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNCC2CCCO2
InChi [?]:
InChI=1/C15H23NO3/c1-3-18-15-9-12(6-7-14(15)17-2)10-16-11-13-5-4-8-19-13/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,16,7,8,18,5,12,14,6,15,9,4,13,10,3,19/rA:19cCCOCCCCCCOCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.80718 |
Area: | 489.172 |
Solvation: | -6.42212 |
Coulombic: | -30.3342 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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