Chemical ID: 4119542

COc1ccccc1CNCc2ccco2
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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