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Chemical ID: 7108831
Chemical ID:
7108831
Name [?]:
1-(3-ethoxyphenyl)-N-(2-furylmethyl)methanamine
SMILES [?]:
CCOc1cccc(c1)CNCc2ccco2
InChi [?]:
InChI=1/C14H17NO2/c1-2-16-13-6-3-5-12(9-13)10-15-11-14-7-4-8-17-14/h3-9,15H,2,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,15,7,5,14,16,9,10,12,8,4,13,11,3,17/rA:17nCCOCCCCCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57632 |
Area: | 448.285 |
Solvation: | -3.63081 |
Coulombic: | -23.6571 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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