Chemical ID: 4122051

COc1cccc(c1)CNCc2ccco2
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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