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Chemical ID: 4122051
Chemical ID:
4122051
Name [?]:
N-(2-furylmethyl)-1-(3-methoxyphenyl)-methanamine
SMILES [?]:
COc1cccc(c1)CNCc2ccco2
InChi [?]:
InChI=1/C13H15NO2/c1-15-12-5-2-4-11(8-12)9-14-10-13-6-3-7-16-13/h2-8,14H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,14,6,4,13,15,8,9,11,7,3,12,10,2,16/rA:16nCOCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 6.81477 |
Area: | 422.382 |
Solvation: | -3.74478 |
Coulombic: | -23.3928 |
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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