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Chemical ID: 4119542
Chemical ID:
4119542
Name [?]:
N-(2-furylmethyl)-1-(2-methoxyphenyl)-methanamine
SMILES [?]:
COc1ccccc1CNCc2ccco2
InChi [?]:
InChI=1/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,14,7,13,4,15,9,11,8,12,3,10,2,16/rA:16nCOCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77154 |
Area: | 416.236 |
Solvation: | -3.63436 |
Coulombic: | -23.6148 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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